Dimethyl Sulfoxide → 2,2'-[[6-(1H-benzimidazol-1-yl)-9H-purin-2-yl]imino]bisethanol

반응식

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 8113Diethanolamine

HCID 178478376HCID 178478376, 화합물

생성물 1

HCID 1785213232,2'-[[6-(1H-benzimidazol-1-yl)-9H-purin-2-yl]imino]bisethanol

출처 및 근거

ORD 기록: ord-57108165757a46fb8cd6b4be77c4334c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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