Sodium ion → 1-(Phenylthio)pentane-2,4-dione

HRID 193727

반응식

HRID 193727 반응식
[C:1]([CH3:2])(=[O:3])[CH:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[C:12]([CH2:13][S:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)=[O:21].[C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])(=[O:28])[CH2:29][C:30]([CH3:31])=[O:32].[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[Na+:38].[c:39]1([S:40][CH2:41][C:42]([Cl:43])=[O:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[C:1]([CH3:2])(=[O:3])[CH2:4][C:12]([CH2:13][S:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)=[O:21]

참가 물질

7

출처 및 근거

ORD 기록
ord-81a2fb6bd0ec4cd89a5fa652ef8c7fdf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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