Dichloromethane → 8-Chloro-7-dimethylamino-4-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 1203498Notes

Reaction equation

HRID 1203498 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:18][C:19]([CH2:20][C:21](=[O:5])[c:23]2[cH:24][c:25](-[n:29]3[n:30][n:31][cH:32][c:33]3[CH2:34][N:35]([CH3:36])[CH3:37])[cH:26][cH:27][cH:28]2)=[O:38])[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)([CH3:6])([CH3:22])[CH3:39].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[N:7]1=[C:21]([c:23]2[cH:24][c:25](-[n:29]3[n:30][n:31][cH:32][c:33]3[CH2:34][N:35]([CH3:36])[CH3:37])[cH:26][cH:27][cH:28]2)[CH2:20][C:19](=[O:38])[NH:18][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH3:15])[CH3:16])[c:11]([Cl:17])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586816(4-Chloro-5-dimethylamino-2-{3-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert.-butyl ester

Product 1

HCID 186133768-Chloro-7-dimethylamino-4-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-8c28b7e1db2d458eb44bf0f5ebc3dea3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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