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

HRID 86325Notes

Reaction equation

HRID 86325 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:26]2[cH:27][c:28](-[n:32]3[c:33]([CH3:37])[n:34][cH:35][cH:36]3)[cH:29][cH:30][cH:31]2)=[O:38])[cH:10][c:11](-[c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)[cH:12][cH:13]1)([CH3:6])([CH3:25])[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:24]([c:26]2[cH:27][c:28](-[n:32]3[c:33]([CH3:37])[n:34][cH:35][cH:36]3)[cH:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:38])[NH:21][c:9]2[c:8]1[cH:13][cH:12][c:11](-[c:14]1[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]1)[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86588037(2'-Fluoro-3-{3-[3-(2-methyl-imidazol-1-yl)-phenyl]-3-oxo-propionylamino}-bipheny-4-yl)-carbamic Acid tert.-Butyl Ester

Product 1

HCID 222248208-(2-Fluoro-phenyl)-4-[3-(2-methyl-imidazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-9875900b0aa0422e832e116aa2cf15a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…