Dichloromethane → 4-[3-(8-Ethyl-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-phenyl]-pyridine-2-carbonitrile

HRID 1136531Notes

Reaction equation

HRID 1136531 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:20][C:21]([CH2:22][C:23](=[O:5])[c:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([C:37]#[N:38])[n:34][cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)=[O:39])[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([CH2:14][CH3:15])[cH:13]1)([CH3:6])([CH3:24])[CH3:40].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[N:7]1=[C:23]([c:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([C:37]#[N:38])[n:34][cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)[CH2:22][C:21](=[O:39])[NH:20][c:9]2[c:8]1[cH:13][c:12]([CH2:14][CH3:15])[c:11]([C:16]([F:17])([F:18])[F:19])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589374(2-{3-[3-(2-Cyano-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-5-ethyl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223178354-[3-(8-Ethyl-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-phenyl]-pyridine-2-carbonitrile

Sources & evidence

ORD record
ord-806596ca7ea1468793565f9b009a670c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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