Acetonitrile → 2-Butyl-4-[(3-chloro-4-morpholin-4-ylphenyl)amino]-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HRID 186182

반응식

HRID 186182 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[CH3:34][C:35]#[N:36].[Cl:20][c:21]1[cH:22][c:23]([NH2:24])[cH:25][cH:26][c:27]1[N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:24][c:23]2[cH:22][c:21]([Cl:20])[c:27]([N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:26][cH:25]2)[C:9]1=[O:10]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 1086613-Chloro-4-morpholinoanilineHCID 672426232-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

생성물 1

HCID 117198592-Butyl-4-[(3-chloro-4-morpholin-4-ylphenyl)amino]-5-phenylisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록
ord-00c0890abef4472cb8a796f890cc4cec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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