HRID196255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID75799

Benzo-1,3-dioxole-5-methylamine

C8H9NO2

结构：CN=C1SCC(O)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1C

HCID22760490

未命名化合物

PRODUCTS

生成物

结构：CN=C1SCC(O)(c2ccc(Cl)c(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)N1C

HCID22760498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-357452eaca2447d1962859da3dcc26e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BrH:1].[CH2:22]1[O:23][c:24]2[cH:25][c:26]([CH2:27][NH2:28])[cH:29][cH:30][c:31]2[O:32]1.[CH2:33]([N:34]([CH2:35][CH3:36])[CH2:37][CH3:38])[CH3:39].[CH:40]([OH:41])([CH3:42])[CH3:43].[Cl:2][c:3]1[c:4]([S:18](=[O:19])(=[O:20])[Cl:21])[cH:5][c:6]([C:9]2([OH:17])[N:10]([CH3:16])[C:11](=[N:14][CH3:15])[S:12][CH2:13]2)[cH:7][cH:8]1>>[Cl:2][c:3]1[c:4]([S:18](=[O:19])(=[O:20])[NH:28][CH2:27][c:26]2[cH:25][c:24]3[c:31]([cH:30][cH:29]2)[O:32][CH2:22][O:23]3)[cH:5][c:6]([C:9]2([OH:17])[N:10]([CH3:16])[C:11](=[N:14][CH3:15])[S:12][CH2:13]2)[cH:7][cH:8]1