(RS)-Salsolinol → alpha-(3,4-Dimethoxyphenyl)-3,4-dihydro-6,7-dihydroxy-1-methyl-alpha-[(4-methylphenyl)thio]-2(1H)-isoquinoline-pentanenitrile

HRID 1551021

반응식

HRID 1551021 반응식
[CH3:26][CH:27]1[NH:28][CH2:29][CH2:30][c:31]2[cH:32][c:33]([OH:38])[c:34]([OH:37])[cH:35][c:36]21.[Cl:1][CH2:2][CH2:3][CH2:4][C:5]([C:6]#[N:7])([c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[S:18][c:19]1[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]1>>[CH2:2]([CH2:3][CH2:4][C:5]([C:6]#[N:7])([c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[S:18][c:19]1[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]1)[N:28]1[CH:27]([CH3:26])[c:36]2[c:31]([cH:32][c:33]([OH:38])[c:34]([OH:37])[cH:35]2)[CH2:30][CH2:29]1

참가 물질

3

반응물 2

HCID 54456(RS)-SalsolinolHCID 10738259alpha-(3-Chloropropyl)-3,4-dimethoxy-alpha-[(4-methylphenyl)-thio]benzeneacetonitrile

생성물 1

HCID 10839653alpha-(3,4-Dimethoxyphenyl)-3,4-dihydro-6,7-dihydroxy-1-methyl-alpha-[(4-methylphenyl)thio]-2(1H)-isoquinoline-pentanenitrile

출처 및 근거

ORD 기록
ord-82e73f09dda94a29ae1ac4e8a0c1d95e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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