1,2-Dichloroethane → 3-[4-Chloro-2-fluoro-5-{[isopropyl(methyl)amino]carbonylaminosulfonyl}phenyl]-1-methyl-2,4-dioxo-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine

HRID 1238445

반응식

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

참가 물질

반응물 3

HCID 111,2-Dichloroethane

HCID 78485N-Methylisopropylamine

HCID 587094392-Chloro-4-fluoro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-(2H)-pyrimidin-1-yl]benzenesulfonylisocyanate

생성물 1

HCID 587094373-[4-Chloro-2-fluoro-5-{[isopropyl(methyl)amino]carbonylaminosulfonyl}phenyl]-1-methyl-2,4-dioxo-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine

출처 및 근거

ORD 기록: ord-21590d2465ec4e9abbee57d5cb32b2f6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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