Acetic Acid → 8-Methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

반응식

[CH3:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH2:11][CH2:12][c:13]4[cH:14][n:15][c:16]([CH3:19])[cH:17][cH:18]4)[c:8]2[cH:9][cH:10]1)[CH2:20][CH2:21][N:22]([C:24]([O:25][CH2:26][C:27]([Cl:28])([Cl:29])[Cl:30])=[O:31])[CH2:23]3.[CH3:33][C:34](=[O:35])[OH:36].[NH3:32]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH2:11][CH2:12][c:13]4[cH:14][n:15][c:16]([CH3:19])[cH:17][cH:18]4)[c:8]2[cH:9][cH:10]1)[CH2:20][CH2:21][NH:22][CH2:23]3

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 222Ammonia

HCID 578759452,2,2-trichloroethyl 3,4-dihydro-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

생성물 1

HCID 578762518-Methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

출처 및 근거

ORD 기록: ord-1dd5ec05d76042029c2ea687180b3ca0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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