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

HRID 1114121Notes

Reaction equation

HRID 1114121 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:23]2[cH:24][c:25](-[c:29]3[cH:30][c:31]([N:35]4[CH2:36][CH2:37][CH2:38][CH2:39]4)[n:32][cH:33][cH:34]3)[cH:26][cH:27][cH:28]2)=[O:41])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:14])[cH:13]1)([CH3:6])([CH3:40])[CH3:42].[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[N:7]1=[C:22]([c:23]2[cH:24][c:25](-[c:29]3[cH:30][c:31]([N:35]4[CH2:36][CH2:37][CH2:38][CH2:39]4)[n:32][cH:33][cH:34]3)[cH:26][cH:27][cH:28]2)[CH2:21][C:20](=[O:41])[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 86589460(5-Methyl-2-{3-oxo-3-[3-(2-pyrrolidin-1-yl-pyridin-4-yl)-phenyl]-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223173167-Methyl-4-[3-(2-pyrrolidin-1-yl-pyridin-4-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-10dc076c632c47838b0cc05119d0be53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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