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

HRID 2311310Notes

Reaction equation

HRID 2311310 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:19][C:20]([CH2:21][C:22](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][c:33]([CH2:37][CH3:38])[cH:34][c:35]3[CH3:36])[cH:27][cH:28][cH:29]2)=[O:39])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:14])[cH:13]1)([CH3:6])([CH3:23])[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:22]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][c:33]([CH2:37][CH3:38])[cH:34][c:35]3[CH3:36])[cH:27][cH:28][cH:29]2)[CH2:21][C:20](=[O:39])[NH:19][c:9]2[c:8]1[cH:13][c:12]([CH3:14])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589418(2-{3-[3-(6-Ethyl-4-methyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-methyl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223172304-[3-(6-Ethyl-4-methyl-pyridin-3-yl)-phenyl]-7-methyl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-764456b91b954ba9bddb732eb9dd3f0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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