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

HRID 94922Notes

Reaction equation

HRID 94922 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:25]2[cH:26][c:27](-[n:31]3[n:32][n:33][n:34][cH:35]3)[cH:28][cH:29][cH:30]2)=[O:37])[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])([CH3:36])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:24]([c:25]2[cH:26][c:27](-[n:31]3[n:32][n:33][n:34][cH:35]3)[cH:28][cH:29][cH:30]2)[CH2:23][C:22](=[O:37])[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 86588043{2'-Fluoro-3-[3-oxo-3-(3-tetrazol-1-yl-phenyl)-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester

Product 1

HCID 222247628-(2-Fluoro-phenyl)-4-(3-tetrazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-bfb9b11fca9e45c4a30a6688fe1c3e49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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