Sodium Ion → ethyl 2-(3-(2-(chlorosulfonyl)benzyl)-5-fluoro-2-methyl-1H-indol-1-yl)acetate

반응식

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

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 24638Chlorosulfonic acid

HCID 178472609HCID 178472609, 화합물

생성물 1

HCID 86633020ethyl 2-(3-(2-(chlorosulfonyl)benzyl)-5-fluoro-2-methyl-1H-indol-1-yl)acetate

출처 및 근거

ORD 기록: ord-dab45584220b4ea3bb641a2208c29dbe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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