Dichloromethane → 3-[4-Oxo-7-(4-trifluoromethoxy-phenyl)-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-benzonitrile

HRID 2136144Notes

Reaction equation

HRID 2136144 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:25][C:26]([CH2:27][C:28](=[O:5])[c:30]2[cH:31][c:32]([C:36]#[N:37])[cH:33][cH:34][cH:35]2)=[O:38])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)[cH:12][cH:13]1)([CH3:6])([CH3:29])[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:28]([c:30]2[cH:31][c:32]([C:36]#[N:37])[cH:33][cH:34][cH:35]2)[CH2:27][C:26](=[O:38])[NH:25][c:9]2[c:8]1[cH:13][cH:12][c:11](-[c:14]1[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]1)[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86588012{3-[3-(3-Cyano-phenyl)-3-oxo-propionylamino]-4'-trifluoromethoxy-biphenyl-4-yl}-carbamic acid tert.-butyl ester

Product 1

HCID 222248613-[4-Oxo-7-(4-trifluoromethoxy-phenyl)-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-benzonitrile

Sources & evidence

ORD record
ord-99dcb8eef4da4f9ca7633c61c348a586
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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