Dichloromethane → 4-[8-(Isopropyl-methyl-amino)-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-pyridine-2-carbonitrile

HRID 822034Notes

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:28]2[cH:29][c:30]([C:34]#[N:35])[n:31][cH:32][cH:33]2)=[O:36])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:13]1)([CH3:6])([CH3:27])[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:26]([c:28]2[cH:29][c:30]([C:34]#[N:35])[n:31][cH:32][cH:33]2)[CH2:25][C:24](=[O:36])[NH:23][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[c:11]([C:19]([F:20])([F:21])[F:22])[cH:10]2

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86586925[2-[3-(2-Cyano-pyridin-4-yl)-3-oxo-propionylamino]-5-(isopropyl-methyl-amino)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 101356574-[8-(Isopropyl-methyl-amino)-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-pyridine-2-carbonitrile

Sources & evidence

ORD record: ord-0bf73fe0fd0e404dae1f0fef4fa0a101
Source dataset: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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