Dichloromethane → 7-(Methyl-propyl-amino)-4-(3-pyridin-4-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 1202748Notes

Reaction equation

HRID 1202748 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:27]2[cH:28][c:29](-[c:33]3[cH:34][cH:35][n:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]2)=[O:40])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH2:15][CH2:16][CH3:17])[CH3:18])[cH:13]1)([CH3:6])([CH3:39])[CH3:41].[Cl:49][CH2:50][Cl:51].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[N:7]1=[C:26]([c:27]2[cH:28][c:29](-[c:33]3[cH:34][cH:35][n:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]2)[CH2:25][C:24](=[O:40])[NH:23][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH2:15][CH2:16][CH3:17])[CH3:18])[c:11]([C:19]([F:20])([F:21])[F:22])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589280{5-(Methyl-propyl-amino)-2-[3-oxo-3-(3-pyridin-4-yl-phenyl)-propionylamino]-4-trifluoromethyl-phenyl}-carbamic acid tert-butyl ester

Product 1

HCID 223175777-(Methyl-propyl-amino)-4-(3-pyridin-4-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-836397e5a48f4d3c9bee0c13a6fe9c4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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