HRID299192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID69861

4-tert-Butylaniline

C10H15N

结构：O=C(O)c1cccc(-c2nn3c(c2-c2ccncc2)SCC3)c1

HCID67424026

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)c2cccc(-c3nn4c(c3-c3ccncc3)SCC4)c2)cc1

HCID46701906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3149693c03cf4e0494f436a9ff9b003f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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