HRID124790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID66645

2,4-Dichlorobenzoyl chloride

C7H3Cl3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(N)c(C)c1)C2

HCID21836996

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C)c1)C2

HCID21837013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5d98157a09f4500bfbaa9f4a1e5a7b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:50]([Cl:51])[Cl:52].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:39][c:40]1[c:41]([C:42](=[O:43])[Cl:44])[cH:45][cH:46][c:47]([Cl:49])[cH:48]1.[NH2:1][c:2]1[c:3]([CH3:29])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][c:10]3[n:11]([c:19]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:20][cH:21]3)[CH2:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:27][cH:28]1>>[NH:1]([c:2]1[c:3]([CH3:29])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][c:10]3[n:11]([c:19]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:20][cH:21]3)[CH2:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:27][cH:28]1)[C:42]([c:41]1[c:40]([Cl:39])[cH:48][c:47]([Cl:49])[cH:46][cH:45]1)=[O:43]