Sodium Ion → 5-(2-(4-Chlorobenzenesulphonylamino)indan-5-yl)-5-(3-pyridyl)pent-4-enoic acid

반응식

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

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 53820407Methyl 5-(2-(4-chlorobenzenesulphonylamino)indan-5-yl)-5-(3-pyridyl)pent-4-enoate

생성물 1

HCID 541157275-(2-(4-Chlorobenzenesulphonylamino)indan-5-yl)-5-(3-pyridyl)pent-4-enoic acid

출처 및 근거

ORD 기록: ord-d6e508924c474362a2d3e79c2b250c00
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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