4-(tert-Butylaminosulphonyl)benzeneboronic acid → 3'-(4-Oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-biphenyl-4-sulfonic acid tert-butylamide

HRID 1145450Notes

Reaction equation

HRID 1145450 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2=[N:9][c:10]3[c:11]([cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[NH:12][C:13](=[O:15])[CH2:14]2)[cH:5][cH:6][cH:7]1.[C:24]([CH3:25])([CH3:26])([CH3:27])[NH:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([S:29]([NH:28][C:24]([CH3:25])([CH3:26])[CH3:27])(=[O:30])=[O:31])[cH:37][cH:36]2)[cH:3][c:4]([C:8]2=[N:9][c:10]3[c:11]([cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[NH:12][C:13](=[O:15])[CH2:14]2)[cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 221071704-(tert-Butylaminosulphonyl)benzeneboronic acidHCID 673618184-(3-Bromo-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Product 1

HCID 250523243'-(4-Oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-biphenyl-4-sulfonic acid tert-butylamide

Sources & evidence

ORD record
ord-09d64a73a3904f9783665e6a5c1ee38b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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