Sodium Ion → 4-(2-o-Methoxybenzenesulphonamido-indan-5-yl)-4-oxobutyric acid

반응식

[CH3:1][O:2][c:3]1[c:4]([S:9](=[O:10])(=[O:11])[NH:12][CH:13]2[CH2:14][c:15]3[cH:16][cH:17][c:18]([C:22]([CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])=[O:29])[cH:19][c:20]3[CH2:21]2)[cH:5][cH:6][cH:7][cH:8]1.[Na+:31].[OH-:30]>>[CH3:1][O:2][c:3]1[c:4]([S:9](=[O:10])(=[O:11])[NH:12][CH:13]2[CH2:14][c:15]3[cH:16][cH:17][c:18]([C:22]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])=[O:29])[cH:19][c:20]3[CH2:21]2)[cH:5][cH:6][cH:7][cH:8]1

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 14071513Methyl 4-(2-o-methoxybenzenesulphonamido-indan-5-yl)-4-oxobuty rate

생성물 1

HCID 140715144-(2-o-Methoxybenzenesulphonamido-indan-5-yl)-4-oxobutyric acid

출처 및 근거

ORD 기록: ord-ba9408726a8c42c794c9050bff2d21f3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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