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

반응식

[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.[F:23][c:24]1[cH:25][cH:26][c:27]([N:30]=[C:31]=[O:32])[cH:28][cH:29]1>>[CH3:1][C:2]1([CH3:22])[CH2:3][N:4]([C:31]([NH:30][c:27]2[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]2)=[O:32])[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

참가 물질

반응물 2

HCID 709554-Fluorophenyl isocyanate

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

생성물 1

HCID 59536389N-(4-Fluorophenyl)-4,4-dimethyl-1-(4-(trifluoromethyl)phenyl)-3,4-dihydro-isoquinoline-2(1H)-carboxamide

출처 및 근거

ORD 기록: ord-179c0a51e5714d40849ab8a975f2c7ff
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…