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

HRID 2135139Notes

Reaction equation

HRID 2135139 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:16][C:17]([CH2:18][C:19](=[O:5])[c:21]2[cH:22][c:23](-[c:27]3[cH:28][n:29][c:30]([CH2:33][CH3:34])[cH:31][cH:32]3)[cH:24][cH:25][cH:26]2)=[O:35])[cH:10][c:11]([Cl:15])[c:12]([CH3:14])[cH:13]1)([CH3:6])([CH3:20])[CH3:36].[Cl:44][CH2:45][Cl:46].[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43]>>[N:7]1=[C:19]([c:21]2[cH:22][c:23](-[c:27]3[cH:28][n:29][c:30]([CH2:33][CH3:34])[cH:31][cH:32]3)[cH:24][cH:25][cH:26]2)[CH2:18][C:17](=[O:35])[NH:16][c:9]2[c:8]1[cH:13][c:12]([CH3:14])[c:11]([Cl:15])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589355(4-Chloro-2-{3-[3-(6-ethyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-methyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223173588-Chloro-4-[3-(6-ethyl-pyridin-3-yl)-phenyl]-7-methyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-7220bfa5fb7d433a88285e902bd1f4b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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