base
stringclasses 3
values | ligand
stringclasses 4
values | additive
stringclasses 23
values | aryl_halide
stringclasses 15
values | yield
float64 0
100
|
|---|---|---|---|---|
P2Et | XPhos | 5-phenylisoxazole | 1-chloro-4-(trifluoromethyl)benzene | 10.657812 |
P2Et | XPhos | 5-phenylisoxazole | 1-bromo-4-(trifluoromethyl)benzene | 14.747896 |
P2Et | XPhos | 5-phenylisoxazole | 1-iodo-4-(trifluoromethyl)benzene | 18.278686 |
P2Et | XPhos | 5-phenylisoxazole | 1-chloro-4-methoxybenzene | 2.475058 |
P2Et | XPhos | 5-phenylisoxazole | 1-bromo-4-methoxybenzene | 6.119058 |
P2Et | XPhos | 5-phenylisoxazole | 1-iodo-4-methoxybenzene | 5.449924 |
P2Et | XPhos | 5-phenylisoxazole | 1-chloro-4-ethylbenzene | 7.80208 |
P2Et | XPhos | 5-phenylisoxazole | 1-bromo-4-ethylbenzene | 14.234178 |
P2Et | XPhos | 5-phenylisoxazole | 1-ethyl-4-iodobenzene | 15.413893 |
P2Et | XPhos | 5-phenylisoxazole | 2-chloropyridine | 9.465696 |
P2Et | XPhos | 5-phenylisoxazole | 2-bromopyridine | 15.238758 |
P2Et | XPhos | 5-phenylisoxazole | 2-iodopyridine | 19.594289 |
P2Et | XPhos | 5-phenylisoxazole | 3-chloropyridine | 7.787908 |
P2Et | XPhos | 5-phenylisoxazole | 3-bromopyridine | 9.677592 |
P2Et | XPhos | 5-phenylisoxazole | 3-iodopyridine | 13.175217 |
BTMG | XPhos | 5-phenylisoxazole | 1-chloro-4-(trifluoromethyl)benzene | 14.018641 |
BTMG | XPhos | 5-phenylisoxazole | 1-bromo-4-(trifluoromethyl)benzene | 30.591262 |
BTMG | XPhos | 5-phenylisoxazole | 1-iodo-4-(trifluoromethyl)benzene | 38.155736 |
BTMG | XPhos | 5-phenylisoxazole | 1-chloro-4-methoxybenzene | 0.456472 |
BTMG | XPhos | 5-phenylisoxazole | 1-bromo-4-methoxybenzene | 3.867386 |
BTMG | XPhos | 5-phenylisoxazole | 1-iodo-4-methoxybenzene | 7.024622 |
BTMG | XPhos | 5-phenylisoxazole | 1-chloro-4-ethylbenzene | 2.846164 |
BTMG | XPhos | 5-phenylisoxazole | 1-bromo-4-ethylbenzene | 18.869009 |
BTMG | XPhos | 5-phenylisoxazole | 1-ethyl-4-iodobenzene | 25.073659 |
BTMG | XPhos | 5-phenylisoxazole | 2-chloropyridine | 21.666586 |
BTMG | XPhos | 5-phenylisoxazole | 2-bromopyridine | 48.487494 |
BTMG | XPhos | 5-phenylisoxazole | 2-iodopyridine | 58.610757 |
BTMG | XPhos | 5-phenylisoxazole | 3-chloropyridine | 4.169293 |
BTMG | XPhos | 5-phenylisoxazole | 3-bromopyridine | 11.383346 |
BTMG | XPhos | 5-phenylisoxazole | 3-iodopyridine | 24.418182 |
MTBD | XPhos | 5-phenylisoxazole | 1-chloro-4-(trifluoromethyl)benzene | 14.967396 |
MTBD | XPhos | 5-phenylisoxazole | 1-bromo-4-(trifluoromethyl)benzene | 30.286255 |
MTBD | XPhos | 5-phenylisoxazole | 1-iodo-4-(trifluoromethyl)benzene | 39.577839 |
MTBD | XPhos | 5-phenylisoxazole | 1-chloro-4-methoxybenzene | 0.339837 |
MTBD | XPhos | 5-phenylisoxazole | 1-bromo-4-methoxybenzene | 3.123062 |
MTBD | XPhos | 5-phenylisoxazole | 1-iodo-4-methoxybenzene | 5.14011 |
MTBD | XPhos | 5-phenylisoxazole | 1-chloro-4-ethylbenzene | 3.920306 |
MTBD | XPhos | 5-phenylisoxazole | 1-bromo-4-ethylbenzene | 15.39753 |
MTBD | XPhos | 5-phenylisoxazole | 1-ethyl-4-iodobenzene | 22.450649 |
MTBD | XPhos | 5-phenylisoxazole | 2-chloropyridine | 23.686174 |
MTBD | XPhos | 5-phenylisoxazole | 2-bromopyridine | 42.694859 |
MTBD | XPhos | 5-phenylisoxazole | 2-iodopyridine | 54.833609 |
MTBD | XPhos | 5-phenylisoxazole | 3-chloropyridine | 6.351542 |
MTBD | XPhos | 5-phenylisoxazole | 3-bromopyridine | 14.164722 |
MTBD | XPhos | 5-phenylisoxazole | 3-iodopyridine | 17.378304 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-(trifluoromethyl)benzene | 3.606677 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-(trifluoromethyl)benzene | 35.078662 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-iodo-4-(trifluoromethyl)benzene | 43.318146 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-methoxybenzene | 0 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-methoxybenzene | 29.298178 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-iodo-4-methoxybenzene | 37.565356 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-ethylbenzene | 0.96081 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-ethylbenzene | 59.019681 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-ethyl-4-iodobenzene | 70.96873 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-chloropyridine | 35.139527 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-bromopyridine | 37.654458 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-iodopyridine | 51.10249 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-chloropyridine | 3.96345 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-bromopyridine | 31.93031 |
P2Et | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-iodopyridine | 48.708232 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-(trifluoromethyl)benzene | 5.008761 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-(trifluoromethyl)benzene | 35.088724 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-iodo-4-(trifluoromethyl)benzene | 41.245607 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-methoxybenzene | 0 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-methoxybenzene | 13.976947 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-iodo-4-methoxybenzene | 18.895249 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-ethylbenzene | 0.705195 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-ethylbenzene | 32.632341 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-ethyl-4-iodobenzene | 31.818372 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-chloropyridine | 30.425439 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-bromopyridine | 53.63578 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-iodopyridine | 59.476744 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-chloropyridine | 2.014672 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-bromopyridine | 26.513526 |
BTMG | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-iodopyridine | 36.850379 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-(trifluoromethyl)benzene | 4.820162 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-(trifluoromethyl)benzene | 34.806286 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-iodo-4-(trifluoromethyl)benzene | 46.632498 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-methoxybenzene | 0 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-methoxybenzene | 11.742185 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-iodo-4-methoxybenzene | 26.651894 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-chloro-4-ethylbenzene | 0.54683 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-bromo-4-ethylbenzene | 35.870556 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 1-ethyl-4-iodobenzene | 68.844495 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-chloropyridine | 33.875422 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-bromopyridine | 63.069719 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 2-iodopyridine | 70.629892 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-chloropyridine | 2.481416 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-bromopyridine | 31.678005 |
MTBD | XPhos | ethyl-3-methylisoxazole-5-carboxylate | 3-iodopyridine | 46.0142 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-chloro-4-(trifluoromethyl)benzene | 22.166448 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-bromo-4-(trifluoromethyl)benzene | 23.211569 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-iodo-4-(trifluoromethyl)benzene | 34.748764 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-chloro-4-methoxybenzene | 0.948129 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-bromo-4-methoxybenzene | 16.649665 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-iodo-4-methoxybenzene | 19.999826 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-chloro-4-ethylbenzene | 4.992379 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-bromo-4-ethylbenzene | 53.996993 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 1-ethyl-4-iodobenzene | 57.37549 |
P2Et | XPhos | ethyl-5-methylisoxazole-3-carboxylate | 2-chloropyridine | 22.611658 |
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This is the full data set for the aryl halide benchmark.
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