Acetonitrile → 2-[4-(Difluoromethoxy)benzyl]-4-{[4-(difluoromethoxy)phenyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HRID 285717

반응식

HRID 285717 반응식
[CH3:38][C:39]#[N:40].[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]([CH2:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH:23]([F:24])[F:25])[cH:20][cH:21]2)[C:3]1=[O:26].[F:27][CH:28]([O:29][c:30]1[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]1)[F:37]>>[C:2]1([NH:34][c:33]2[cH:32][cH:31][c:30]([O:29][CH:28]([F:27])[F:37])[cH:36][cH:35]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]([CH2:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH:23]([F:24])[F:25])[cH:20][cH:21]2)[C:3]1=[O:26]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 7373634-(Difluoromethoxy)anilineHCID 686617234-Chloro-2-[4-(difluoromethoxy)benzyl]-5-phenylisothiazol-3(2H)-one 1,1-dioxide

생성물 1

HCID 117133692-[4-(Difluoromethoxy)benzyl]-4-{[4-(difluoromethoxy)phenyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록
ord-fa026a3bac83444a9f9534ccccb721c0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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