HRID137371

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID6420

Trichloroacetyl chloride

C2Cl4O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1-c1ccccc1C

HCID68679470

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)ccc1-c1ccccc1C

HCID16038825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebe2fccdacde47aea6164769afb6b42c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4](-[c:25]2[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]2)[cH:5][cH:6][c:7]([C:9](=[O:10])[N:11]2[CH2:12][c:13]3[n:14]([cH:22][cH:23][cH:24]3)[CH2:15][c:16]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[cH:8]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:46]([Cl:47])([Cl:48])[Cl:49].[Cl:39][C:40]([C:41](=[O:42])[Cl:43])([Cl:44])[Cl:45].[Cl:50][CH2:51][Cl:52]>>[CH3:1][O:2][c:3]1[c:4](-[c:25]2[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]2)[cH:5][cH:6][c:7]([C:9](=[O:10])[N:11]2[CH2:12][c:13]3[n:14]([c:22]([C:41]([C:40]([Cl:39])([Cl:44])[Cl:45])=[O:42])[cH:23][cH:24]3)[CH2:15][c:16]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[cH:8]1