Hexane → 2-Cyclopentyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane

HRID 2342871

반응식

HRID 2342871 반응식
[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH2:18]([C:19]1([c:20]2[cH:21][c:22]([O:27][CH3:28])[cH:29][c:30]([O:31][CH3:32])[cH:33]2)[S:23][CH2:24][CH2:25][S:26]1)[CH2:34][CH2:35][CH3:36].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH:1]1([C:6](=[O:7])[c:8]2[cH:9][c:10]([O:16][CH3:17])[cH:11][c:12]([O:14][CH3:15])[cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([C:6]2([c:8]3[cH:9][c:10]([O:16][CH3:17])[cH:11][c:12]([O:14][CH3:15])[cH:13]3)[S:23][CH2:24][CH2:25][S:26]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

참가 물질

5

출처 및 근거

ORD 기록
ord-82ab235e1f18463a822a2263d49ee972
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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