Benzo-1,3-dioxole-5-methylamine → 4-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

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].[O:20]1[CH2:21][O:22][c:23]2[c:24]1[cH:25][cH:26][c:27]([CH2:29][NH2:30])[cH:28]2>>[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:30][CH2:29][c:27]2[cH:26][cH:25][c:24]3[c:23]([cH:28]2)[O:22][CH2:21][O:20]3)[C:9]1=[O:10]

참가 물질

반응물 2

HCID 75799Benzo-1,3-dioxole-5-methylamine

HCID 672426232-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

생성물 1

HCID 116113584-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록: ord-4a1f35e6d0204783875dcc20e1c0d659
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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