1,4-Dioxane → Benzoic acid, 2-(((((6-chloro-3,4-dihydro-4-methyl-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester

HRID 166356

반응식

HRID 166356 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([S:11](=[O:12])(=[O:13])[N:14]=[C:15]=[O:16])[cH:7][cH:8][cH:9][cH:10]1.[NH2:17][c:18]1[c:19](=[O:26])[n:20]([CH3:25])[cH:21][c:22]([Cl:24])[n:23]1.[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([S:11](=[O:12])(=[O:13])[NH:14][C:15](=[O:16])[NH:17][c:18]2[c:19](=[O:26])[n:20]([CH3:25])[cH:21][c:22]([Cl:24])[n:23]2)[cH:7][cH:8][cH:9][cH:10]1

참가 물질

4

반응물 3

HCID 312751,4-DioxaneHCID 156281Benzoic acid, 2-(isocyanatosulfonyl)-, methyl esterHCID 130629753-amino-5-chloro-1-methyl-2(1H)-pyrazinone

생성물 1

HCID 189318Benzoic acid, 2-(((((6-chloro-3,4-dihydro-4-methyl-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester

출처 및 근거

ORD 기록
ord-6b32e0864de342f29aadba37b13d2d14
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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