Citric Acid → 4-(3-chlorophenyl)sulfonylbenzoic acid

HRID 136781노트

반응식

HRID 136781 반응식
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]2)[cH:8][cH:9]1)=[O:20].[CH3:41][OH:42].[Li+:22].[OH-:21].[OH2:43].[OH:23][C:24]([CH2:25][C:26]([C:27](=[O:28])[OH:29])([CH2:30][C:31](=[O:32])[OH:33])[OH:34])=[O:35]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]2)[cH:8][cH:9]1)[OH:20]

참가 물질

8

출처 및 근거

ORD 기록
ord-db5abf546f114714a6b8b6a938f68bf4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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