Dichloromethane → 4-[3-(6-Methoxy-pyridin-3-yl)-phenyl]-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 1226639Notes

Reaction equation

HRID 1226639 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][n:33][c:34]([O:37][CH3:38])[cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)=[O:39])[cH:10][cH:11][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[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][n:33][c:34]([O:37][CH3:38])[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]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:11][cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589336[2-{3-[3-(6-Methoxy-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-(2,2,2-trifluoro-ethoxy)-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 223172634-[3-(6-Methoxy-pyridin-3-yl)-phenyl]-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-b090124ccdd64047bf6870d762786b02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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