Acetonitrile → 4-[(4-Azepan-1-ylphenyl)amino]-2-tert-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HRID 947175

반응식

HRID 947175 반응식
[C:1]([CH3:2])([CH3:3])([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].[N:20]1([c:27]2[cH:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1>>[C:1]([CH3:2])([CH3:3])([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:33][c:30]2[cH:29][cH:28][c:27]([N:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:32][cH:31]2)[C:9]1=[O:10]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 93643Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-HCID 672426272-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

생성물 1

HCID 116553914-[(4-Azepan-1-ylphenyl)amino]-2-tert-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록
ord-ed2c736012354b24ad88de969c155344
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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