Ethanol → (RS)-3-(2-Hydroxyethyl)-N-(3-methylisoquinol-5-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

反応式

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

参加物

反応物 3

HCID 702Ethanol

HCID 128748552-(1,2,3,4-Tetrahydroisoquinolin-3-yl)ethan-1-ol

HCID 130143215-Isothiocyanato-3-methylisoquinoline

生成物 1

HCID 20350066(RS)-3-(2-Hydroxyethyl)-N-(3-methylisoquinol-5-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

出典と根拠

ORDレコード: ord-78489a830ba64d5ebe998227caa050f2
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…