Chloride → (Z)-7-chloro-3-(2-chlorobenzyl)-5-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-1H-benzo[e][1,4]diazepin-2(3H)-one

HRID 2327433Notes

Reaction equation

HRID 2327433 reaction equation
[Al+3:42].[CH3:45][O:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl-:41].[Cl-:43].[Cl-:44].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:39][cH:40]1)[N:6]([CH2:30][c:31]1[cH:32][cH:33][c:34]([O:35][CH3:36])[cH:37][cH:38]1)[C:7](=[O:29])[CH:8]([CH2:21][c:22]1[c:23]([Cl:28])[cH:24][cH:25][cH:26][cH:27]1)[N:9]=[C:10]2[c:11]1[cH:12][c:13]2[c:14]([nH:15][c:16](=[O:18])[nH:17]2)[cH:19][cH:20]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:39][cH:40]1)[NH:6][C:7](=[O:29])[CH:8]([CH2:21][c:22]1[c:23]([Cl:28])[cH:24][cH:25][cH:26][cH:27]1)[N:9]=[C:10]2[c:11]1[cH:12][c:13]2[c:14]([nH:15][c:16](=[O:18])[nH:17]2)[cH:19][cH:20]1

Participants

5

Reactant 4

HCID 312Chloride3×HCID 7519AnisoleHCID 104727Aluminum CationHCID 59594383(Z)-7-Chloro-3-(2-chlorobenzyl)-1-(4-methoxybenzyl)-5-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-1H-benzo[e][1,4]diazepin-2(3H)-one

Product 1

HCID 25015236(Z)-7-chloro-3-(2-chlorobenzyl)-5-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-1H-benzo[e][1,4]diazepin-2(3H)-one

Sources & evidence

ORD record
ord-18d84e8d167649c4a0045f9d117c9f90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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