Dichloromethane → 7-Morpholin-4-yl-4-(3-pyrazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 2144001Notes

Reaction equation

HRID 2144001 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:24][C:25]([CH2:26][C:27](=[O:5])[c:28]2[cH:29][c:30](-[n:34]3[n:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32][cH:33]2)=[O:40])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[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:27]([c:28]2[cH:29][c:30](-[n:34]3[n:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32][cH:33]2)[CH2:26][C:25](=[O:40])[NH:24][c:9]2[c:8]1[cH:13][c:12]([N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[c:11]([C:20]([F:21])([F:22])[F:23])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586984{5-Morpholin-4-yl-2-[3-oxo-3-(3-pyrazol-1-yl-phenyl)-propionylamino]-4-trifluoromethyl-phenyl}-carbamic acid tert.-butyl ester

Product 1

HCID 185489247-Morpholin-4-yl-4-(3-pyrazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-79405aa6086e4808ad9cd3583d77125f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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