Dichloromethane → 8-Chloro-7-[(2-methoxy-ethyl)-methyl-amino]-4-(3-[1,2,3]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 700962Notes

Reaction equation

HRID 700962 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:21][C:22]([CH2:23][C:24](=[O:5])[c:25]2[cH:26][c:27](-[n:31]3[n:32][n:33][cH:34][cH:35]3)[cH:28][cH:29][cH:30]2)=[O:37])[cH:10][c:11]([Cl:20])[c:12]([N:14]([CH3:15])[CH2:16][CH2:17][O:18][CH3:19])[cH:13]1)([CH3:6])([CH3:36])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:24]([c:25]2[cH:26][c:27](-[n:31]3[n:32][n:33][cH:34][cH:35]3)[cH:28][cH:29][cH:30]2)[CH2:23][C:22](=[O:37])[NH:21][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH3:15])[CH2:16][CH2:17][O:18][CH3:19])[c:11]([Cl:20])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586811{4-Chloro-5-[(2-methoxy-ethyl)-methyl-amino]-2-[3-oxo-3-(3-[1,2,3]triazol-1-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert.-butyl ester

Product 1

HCID 186133588-Chloro-7-[(2-methoxy-ethyl)-methyl-amino]-4-(3-[1,2,3]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-fe362aeea5f94aec84be18f09297fab1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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