Isopropyl isocyanate → N-Isopropyl-4,4-dimethyl-1-(4-(trifluoromethyl)phenyl)-3,4-dihydro-isoquinoline-2(1H)-carboxamide

Reaction equation

[CH3:1][C:2]1([CH3:22])[CH2:3][NH:4][CH:5]([c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[CH:23]([CH3:24])([CH3:25])[N:26]=[C:27]=[O:28]>>[CH3:1][C:2]1([CH3:22])[CH2:3][N:4]([C:27]([NH:26][CH:23]([CH3:24])[CH3:25])=[O:28])[CH:5]([c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21

Participants

Reactant 2

HCID 61277Isopropyl isocyanate

HCID 595363404,4-Dimethyl-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

Product 1

HCID 59536349N-Isopropyl-4,4-dimethyl-1-(4-(trifluoromethyl)phenyl)-3,4-dihydro-isoquinoline-2(1H)-carboxamide

Sources & evidence

ORD record: ord-41cdbbe759b34287ae132c139cda3e15
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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