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

HRID 110652Notes

Reaction equation

HRID 110652 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]([S:37][CH2:38][O:39][CH3:40])[n:34][cH:35][cH:36]3)[cH:29][cH:30][cH:31]2)=[O:41])[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])[CH3:42].[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[N:7]1=[C:24]([c:26]2[cH:27][c:28](-[n:32]3[c:33]([S:37][CH2:38][O:39][CH3:40])[n:34][cH:35][cH:36]3)[cH:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:41])[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 86588056(2'-Fluoro-3-{3-[3-(2-methoxymethylsulfanyl-imidazol-1-yl)-phenyl]-3-oxo-propionylamino}-biphenyl-4-yl)-carbamic acid tert.-butyl ester

Product 1

HCID 222249178-(2-Fluoro-phenyl)-4-[3-(2-methoxymethylsulfanyl-imidazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-7395a5ab93fc4a589e9027d9f310bc24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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