Dichloromethane → 8-Benzoyl-4-(3-chloro-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 174064Notes

Reaction equation

HRID 174064 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:22][C:23]([CH2:24][C:25](=[O:5])[c:27]2[cH:28][c:29]([Cl:33])[cH:30][cH:31][cH:32]2)=[O:34])[cH:10][c:11]([C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:21])[cH:12][cH:13]1)([CH3:6])([CH3:26])[CH3:35].[Cl:43][CH2:44][Cl:45].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[N:7]1=[C:25]([c:27]2[cH:28][c:29]([Cl:33])[cH:30][cH:31][cH:32]2)[CH2:24][C:23](=[O:34])[NH:22][c:9]2[c:8]1[cH:13][cH:12][c:11]([C:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)=[O:21])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86588006{4-Benzoyl-2-[3-(3-chloro-phenyl)-3-oxo-propionylamino]-phenyl}-carbamic acid tert.-butyl ester

Product 1

HCID 222249038-Benzoyl-4-(3-chloro-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-07d1ae9960354b14a44d1821a8ce0810
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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