Dimethyl Sulfoxide → HCID 178508743, 화합물

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[CH3:38][S:39]([CH3:40])=[O:41].[CH:21]1([CH:27]=[CH:28][c:29]2[cH:30][cH:31][c:32]([CH2:35][CH2:36][NH2:37])[cH:33][cH:34]2)[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1.[Cl:1][c:2]1[n:3][c:4]([NH2:20])[c:5]2[n:6][cH:7][n:8]([CH:9]3[CH:10]([OH:11])[CH:12]([OH:13])[CH:14]([CH2:15][OH:16])[O:17]3)[c:18]2[n:19]1>>[c:2]1([NH:37][CH2:36][CH2:35][c:32]2[cH:31][cH:30][c:29]([CH:28]=[CH:27][CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:34][cH:33]2)[n:3][c:4]([NH2:20])[c:5]2[n:6][cH:7][n:8]([CH:9]3[CH:10]([OH:11])[CH:12]([OH:13])[CH:14]([CH2:15][OH:16])[O:17]3)[c:18]2[n:19]1

참가 물질

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HCID 679Dimethyl Sulfoxide

HCID 2354812-Chloro-9-pentofuranosyl-9H-purin-6-amine

HCID 534075602-[4-(2-Cyclohexyl-vinyl)-phenyl]-ethylamine

생성물 1

HCID 178508743HCID 178508743, 화합물

출처 및 근거

ORD 기록: ord-bc35d6106e6b49a3b6dbdb5aff24d735
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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