Acetonitrile → 4-[(4-Isopropoxyphenyl)amino]-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HRID 181375

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 821124-Isopropoxyaniline

HCID 672431604-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

생성물 1

HCID 117110694-[(4-Isopropoxyphenyl)amino]-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록: ord-0078d6899a2d47c38cc735d8b07b5287
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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