Ethyl Acetate → 5-Ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline

반응식

[CH2:1]([CH3:2])[c:3]1[c:4]([N:14]2[CH2:15][CH2:16][CH:17]([N:20]3[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[CH3:29])[CH2:24][CH2:25]3)[CH2:18][CH2:19]2)[cH:5][c:6]([O:12][CH3:13])[c:7]([N+:9]([O-:10])=[O:11])[cH:8]1.[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35]>>[CH2:1]([CH3:2])[c:3]1[c:4]([N:14]2[CH2:15][CH2:16][CH:17]([N:20]3[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[CH3:29])[CH2:24][CH2:25]3)[CH2:18][CH2:19]2)[cH:5][c:6]([O:12][CH3:13])[c:7]([NH2:9])[cH:8]1

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 594529781-(1-(2-Ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl)-4-(methylsulfonyl)piperazine

생성물 1

HCID 594530035-Ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline

출처 및 근거

ORD 기록: ord-1e4070c8e6bf4cc1ad7dec8131ca2332
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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