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

반응식

[I:1][c:2]1[c:3]([C:8]([F:9])([F:10])[F:11])[cH:4][cH:5][cH:6][cH:7]1.[nH:12]1[cH:13][cH:14][c:15]2[c:16]([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:17][cH:18][cH:19][c:20]12>>[c:2]1(-[n:12]2[cH:13][cH:14][c:15]3[c:16]([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:17][cH:18][cH:19][c:20]23)[c:3]([C:8]([F:9])([F:10])[F:11])[cH:4][cH:5][cH:6][cH:7]1

참가 물질

반응물 2

HCID 67957Benzene, 1-iodo-2-(trifluoromethyl)-

HCID 22048637N-(3-[1-(1H-indol-4-ylmethyl)-4-piperidinyl]phenyl}-2-methylpropanamide

생성물 1

HCID 227253782-Methyl-N-(3-[1-({1-[2-(trifluoromethyl)phenyl]-1H-indol-4-YL}methyl)-4-piperidinyl]phenyl}propanamide

출처 및 근거

ORD 기록: ord-495a78203a0e478cab3c4eec384e9683
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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