HRID191684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7226

2-Benzothiazolamine, 6-chloro-

C7H5ClN2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)O)cc1Cl

HCID91520892

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)Nc2nc3ccc(Cl)cc3s2)cc1Cl

HCID72373114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c12d3ea23ed84bd1bdb6501ff4dcea0f
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

[CH2:43]([Cl:44])[Cl:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[cH:3][c:4]([C:12]([C:13](=[O:14])[OH:15])=[N:16][O:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:23][c:24]1[cH:25][c:26]2[c:27]([n:28][c:29]([NH2:31])[s:30]2)[cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4]([C:12]([C:13](=[O:15])[NH:31][c:29]2[n:28][c:27]3[c:26]([cH:25][c:24]([Cl:23])[cH:33][cH:32]3)[s:30]2)=[N:16][O:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]