Dimethylformamide → 9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 24386Thionyl Chloride

HCID 401189-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide

생성물 1

HCID 78649049H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide

출처 및 근거

ORD 기록: ord-ca9c0e3a84414ab5a903e74b6d65a2b4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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