3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole → N,N-dimethyl-3-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}propanamide

반응식

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

참가 물질

반응물 2

HCID 28028633-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

HCID 577628213-(4-bromophenyl)-N,N-dimethylpropanamide

생성물 1

HCID 24827140N,N-dimethyl-3-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}propanamide

출처 및 근거

ORD 기록: ord-bc74e66891de40949eb0a6b9e4e773d2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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