Benzene, 1-iodo-4-(trifluoromethyl)- → 2-Methyl-N-{3-[1-({1-[4-(trifluoromethyl)phenyl]-1H-indol-5-YL}methyl)-4-piperidinyl]phenyl}propanamide

반응식

[I:1][c:2]1[cH:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[nH:12]1[cH:13][cH:14][c:15]2[cH:16][c:17]([CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([c:28]4[cH:29][c:30]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32][cH:33]4)[CH2:26][CH2:27]3)[cH:18][cH:19][c:20]12>>[c:2]1(-[n:12]2[cH:13][cH:14][c:15]3[cH:16][c:17]([CH2:21][N:22]4[CH2:23][CH2:24][CH:25]([c:28]5[cH:29][c:30]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32][cH:33]5)[CH2:26][CH2:27]4)[cH:18][cH:19][c:20]23)[cH:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1

참가 물질

반응물 2

HCID 67993Benzene, 1-iodo-4-(trifluoromethyl)-

HCID 22049334N-{3-[1-(1H-indol-5-ylmethyl)-4-piperidinyl]phenyl)-2-methylpropanamide

생성물 1

HCID 220488722-Methyl-N-{3-[1-({1-[4-(trifluoromethyl)phenyl]-1H-indol-5-YL}methyl)-4-piperidinyl]phenyl}propanamide

출처 및 근거

ORD 기록: ord-9490afb1b8ec40259afb6ffb7282100a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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