Potassium Cation → (Z)-7-Chloro-5-(4-(4-methoxybenzyloxy)phenyl)-1-methyl-3-(4-(trifluoromethyl)benzyl)-1H-benzo[e][1,4]diazepin-2(3H)-one

HRID 691932Notes

Reaction equation

HRID 691932 reaction equation
[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:29][cH:30]1)[N:6]([CH3:28])[C:7](=[O:27])[CH2:8][N:9]=[C:10]2[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:15][cH:16]1.[F:37][C:38]([c:39]1[cH:40][cH:41][c:42]([CH2:43][Br:44])[cH:45][cH:46]1)([F:47])[F:48].[K+:36].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:29][cH:30]1)[N:6]([CH3:28])[C:7](=[O:27])[CH:8]([CH2:43][c:42]1[cH:41][cH:40][c:39]([C:38]([F:37])([F:47])[F:48])[cH:46][cH:45]1)[N:9]=[C:10]2[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 45749132-Methylpropan-2-olateHCID 59594389(Z)-7-Chloro-5-(4-(4-methoxybenzyloxy)phenyl)-1-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one

Product 1

HCID 59594382(Z)-7-Chloro-5-(4-(4-methoxybenzyloxy)phenyl)-1-methyl-3-(4-(trifluoromethyl)benzyl)-1H-benzo[e][1,4]diazepin-2(3H)-one

Sources & evidence

ORD record
ord-6b2a71dd7e5343408bbb1c2928fd1f1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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