Dichloromethane → 8-Isopropyl-4-[3-(2-methyl-imidazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 1214745Notes

Reaction equation

HRID 1214745 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:17][C:18]([CH2:19][C:20](=[O:5])[c:22]2[cH:23][c:24](-[n:28]3[c:29]([CH3:33])[n:30][cH:31][cH:32]3)[cH:25][cH:26][cH:27]2)=[O:34])[cH:10][c:11]([CH:14]([CH3:15])[CH3:16])[cH:12][cH:13]1)([CH3:6])([CH3:21])[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:20]([c:22]2[cH:23][c:24](-[n:28]3[c:29]([CH3:33])[n:30][cH:31][cH:32]3)[cH:25][cH:26][cH:27]2)[CH2:19][C:18](=[O:34])[NH:17][c:9]2[c:8]1[cH:13][cH:12][c:11]([CH:14]([CH3:15])[CH3:16])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86588073(4-Isopropyl-2-{3-[3-(2-methyl-imidazol-1-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert.-butyl ester

Product 1

HCID 222247388-Isopropyl-4-[3-(2-methyl-imidazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-45a0ae64aa6f41e2974dcae392add9f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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