4-(Trifluoromethyl)benzoic acid → 6-(4-trifluoromethylbenzoyl)amino-3-(dimethyl)amino-1,2,3,4-tetrahydro-9H-carbazole

반응식

[NH2:1][c:2]1[cH:3][c:4]2[c:5]3[c:10]([nH:11][c:12]2[cH:13][cH:14]1)[CH2:9][CH2:8][CH:7]([N:15]([CH3:16])[CH3:17])[CH2:6]3.[OH:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]3[c:10]([nH:11][c:12]2[cH:13][cH:14]1)[CH2:9][CH2:8][CH:7]([N:15]([CH3:16])[CH3:17])[CH2:6]3)[C:19](=[O:18])[c:21]1[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1

참가 물질

반응물 2

HCID 99664-(Trifluoromethyl)benzoic acid

HCID 226115606-amino-3-(dimethyl)amino-1,2,3,4-tetrahydro-9H-carbazole

생성물 1

HCID 538726336-(4-trifluoromethylbenzoyl)amino-3-(dimethyl)amino-1,2,3,4-tetrahydro-9H-carbazole

출처 및 근거

ORD 기록: ord-8a4f8954e56f40fe99abd54c86306d12
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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