Methanol → 6-(6-(3-aminophenyl)-3-(4-methoxyphenyl)-1H-indol-1-yl)-N-methylpyrimidin-4-amine

반응식

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11](-[c:27]3[cH:28][c:29]([NH:33][CH3:34])[n:30][cH:31][n:32]3)[c:12]3[cH:13][c:14](-[c:18]4[cH:19][c:20]([N+:24]([O-:25])=[O:26])[cH:21][cH:22][cH:23]4)[cH:15][cH:16][c:17]23)[cH:7][cH:8]1.[CH3:35][OH:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11](-[c:27]3[cH:28][c:29]([NH:33][CH3:34])[n:30][cH:31][n:32]3)[c:12]3[cH:13][c:14](-[c:18]4[cH:19][c:20]([NH2:24])[cH:21][cH:22][cH:23]4)[cH:15][cH:16][c:17]23)[cH:7][cH:8]1

참가 물질

반응물 3

HCID 887Methanol

HCID 6228Dimethylformamide

HCID 509919276-(3-(4-methoxyphenyl)-6-(3-nitrophenyl)-1H-indol-1-yl)-N-methylpyrimidin-4-amine

생성물 1

HCID 509920026-(6-(3-aminophenyl)-3-(4-methoxyphenyl)-1H-indol-1-yl)-N-methylpyrimidin-4-amine

출처 및 근거

ORD 기록: ord-42a8b1379e264ba788c17731967d5cfa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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