HRID211707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2366450

未命名化合物

结构：COCN(c1cc(Cl)cnc1C(=O)O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942230

未命名化合物

PRODUCTS

生成物

结构：COCN(c1cc(Cl)cnc1C(=O)Nc1cccnc1NC(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID66648919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e4e917858b0494581d92dcd3a245259
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

[CH2:52]([Cl:53])[Cl:54].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH:42]([CH3:43])([CH3:44])[NH:45][c:46]1[n:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:1][c:2]1[cH:3][c:4]([N:11]([CH2:12][O:13][CH3:14])[S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20]([C:25]([F:26])([F:27])[F:28])[c:21]([Cl:24])[cH:22][cH:23]2)[c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1.[Cl:29][C:30]([C:31]([Cl:32])=[O:33])=[O:34]>>[Cl:1][c:2]1[cH:3][c:4]([N:11]([CH2:12][O:13][CH3:14])[S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20]([C:25]([F:26])([F:27])[F:28])[c:21]([Cl:24])[cH:22][cH:23]2)[c:5]([C:8](=[O:9])[NH:37][c:51]2[c:46]([NH:45][CH:42]([CH3:43])[CH3:44])[n:47][cH:48][cH:49][cH:50]2)[n:6][cH:7]1