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

HRID 290589Notes

Reaction equation

HRID 290589 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[n:27][c:28](-[n:31]3[cH:32][n:33][cH:34][cH:35]3)[s:29][cH:30]2)=[O:36])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[cH:12][cH:13]1)([CH3:6])([CH3:25])[CH3:37].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[N:7]1=[C:24]([c:26]2[n:27][c:28](-[n:31]3[cH:32][n:33][cH:34][cH:35]3)[s:29][cH:30]2)[CH2:23][C:22](=[O:36])[NH:21][c:9]2[c:8]1[cH:13][cH:12][c:11](-[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86588068{4'-Fluoro-3-[3-(2-imidazol-1-yl-thiazol-4-yl)-3-oxo-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester

Product 1

HCID 222249248-(4-Fluoro-phenyl)-4-(2-imidazol-1-yl-thiazol-4-yl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-f721a2a265de4ce7b4b19bb39e827076
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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