Ethanol → 1-[2-(2-Amino-4,5-dimethoxyphenyl)-1-oxo-ethylamino]-3-[N-methyl-N-(7-methoxy-1,2,3,4-tetrahydronaphth-2-yl)-amino]-propane

반응식

[CH3:1][O:2][c:3]1[cH:4][c:5]([N+:32]([O-:33])=[O:34])[c:6]([CH2:11][C:12](=[O:13])[NH:14][CH2:15][CH2:16][CH2:17][N:18]([CH:19]2[CH2:20][c:21]3[cH:22][c:23]([O:29][CH3:30])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH3:31])[cH:7][c:8]1[O:9][CH3:10].[CH3:35][CH2:36][OH:37]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH2:32])[c:6]([CH2:11][C:12](=[O:13])[NH:14][CH2:15][CH2:16][CH2:17][N:18]([CH:19]2[CH2:20][c:21]3[cH:22][c:23]([O:29][CH3:30])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH3:31])[cH:7][c:8]1[O:9][CH3:10]

참가 물질

반응물 2

HCID 702Ethanol

HCID 537576601-[2-(4,5-Dimethoxy-2-nitro-phenyl)-1-oxo-ethylamino]-3-[N-methyl-N-(7-methoxy-1,2,3,4-tetrahydronaphth-2-yl)-amino]-propane

생성물 1

HCID 543174201-[2-(2-Amino-4,5-dimethoxyphenyl)-1-oxo-ethylamino]-3-[N-methyl-N-(7-methoxy-1,2,3,4-tetrahydronaphth-2-yl)-amino]-propane

출처 및 근거

ORD 기록: ord-814161513e274d3cbfcd0fd236d1f6b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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