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

HRID 314128Notes

Reaction equation

HRID 314128 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]([CH:33]4[CH2:34][CH2:35]4)[cH:31][cH:32]3)[cH:24][cH:25][cH:26]2)=[O:36])[cH:10][c:11]([Cl:15])[c:12]([CH3:14])[cH:13]1)([CH3:6])([CH3:20])[CH3:37].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[N:7]1=[C:19]([c:21]2[cH:22][c:23](-[c:27]3[cH:28][n:29][c:30]([CH:33]4[CH2:34][CH2:35]4)[cH:31][cH:32]3)[cH:24][cH:25][cH:26]2)[CH2:18][C:17](=[O:36])[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 86589328(4-Chloro-2-{3-[3-(6-cyclopropyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-methyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223176338-Chloro-4-[3-(6-cyclopropyl-pyridin-3-yl)-phenyl]-7-methyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-ce28a1435c19466daf9054bceebced41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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