Thionyl Chloride → 2-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-N-sulfamoylacetamide

반응식

[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:12][CH2:13][C:14](=[O:15])[N:16]2[CH:17]([CH3:31])[CH2:18][N:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH:20]([CH3:22])[CH2:21]2)[c:6]([CH2:8][C:9](=[O:10])[OH:11])[cH:7]1.[NH2:32][S:33]([NH2:34])(=[O:35])=[O:36].[S:37]([Cl:38])([Cl:39])=[O:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:12][CH2:13][C:14](=[O:15])[N:16]2[CH:17]([CH3:31])[CH2:18][N:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH:20]([CH3:22])[CH2:21]2)[c:6]([CH2:8][C:9](=[O:11])[NH:32][S:33]([NH2:34])(=[O:35])=[O:36])[cH:7]1

참가 물질

반응물 3

HCID 24386Thionyl Chloride

HCID 82267Sulfamide

HCID 21973303HCID 21973303, 화합물

생성물 1

HCID 100755872-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-N-sulfamoylacetamide

출처 및 근거

ORD 기록: ord-d67b1fb3783d42479bb0a867fa001caa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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