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

HRID 307333Notes

Reaction equation

HRID 307333 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:26]2[cH:27][c:28](-[c:32]3[cH:33][n:34][c:35]([CH2:39][CH3:40])[cH:36][c:37]3[CH3:38])[cH:29][cH:30][cH:31]2)=[O:41])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([O:14][CH2:15][CH3:16])[cH:13]1)([CH3:6])([CH3:25])[CH3:42].[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[N:7]1=[C:24]([c:26]2[cH:27][c:28](-[c:32]3[cH:33][n:34][c:35]([CH2:39][CH3:40])[cH:36][c:37]3[CH3:38])[cH:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:41])[NH:21][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][CH3:16])[c:11]([C:17]([F:18])([F:19])[F:20])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589419(5-Ethoxy-2-{3-[3-(6-ethyl-4-methyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223171707-Ethoxy-4-[3-(6-ethyl-4-methyl-pyridin-3-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-7e0c5ca82b8b479bb4f0ede795f39522
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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