HRID1124584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8706

2-Aminobenzothiazole

C7H6N2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)CON=C(C(=O)O)c1ccc(S(C)(=O)=O)c(Cl)c1

HCID90895175

未命名化合物

PRODUCTS

生成物

结构：CC(C)CON=C(C(=O)Nc1nc2ccccc2s1)c1ccc(S(C)(=O)=O)c(Cl)c1

HCID72373099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffcb2ee0012b4fe28bd42ac8ab4f87f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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