Dichloromethane → 4-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-7-(2-methoxy-ethoxy)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 292137Notes

Reaction equation

HRID 292137 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:23][C:24]([CH2:25][C:26](=[O:5])[c:28]2[cH:29][c:30](-[c:34]3[cH:35][c:36]([CH3:41])[n:37][c:38]([CH3:40])[cH:39]3)[cH:31][cH:32][cH:33]2)=[O:42])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([O:14][CH2:15][CH2:16][O:17][CH3:18])[cH:13]1)([CH3:6])([CH3:27])[CH3:43].[Cl:51][CH2:52][Cl:53].[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50]>>[N:7]1=[C:26]([c:28]2[cH:29][c:30](-[c:34]3[cH:35][c:36]([CH3:41])[n:37][c:38]([CH3:40])[cH:39]3)[cH:31][cH:32][cH:33]2)[CH2:25][C:24](=[O:42])[NH:23][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][CH2:16][O:17][CH3:18])[c:11]([C:19]([F:20])([F:21])[F:22])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589407[2-{3-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-5-(2-methoxy-ethoxy)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 223174484-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-7-(2-methoxy-ethoxy)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-77fdcf7b9e2f4c78990625f0a39060c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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