Sulfuric Acid → 4-(3,4-Dimethoxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

반응식

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

참가 물질

반응물 3

HCID 1118Sulfuric Acid

HCID 6422Trifluoroacetic acid

HCID 10590414alpha-[[(4-Methylbenzyl)amino]methyl]-3,4-dimethoxybenzyl alcohol

생성물 1

HCID 106843994-(3,4-Dimethoxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

출처 및 근거

ORD 기록: ord-5776ae0963d248ffa631532df8d9a79d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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