HRID109262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID8471

Triethylamine

C6H15N

结构：COC1=C(OC)C(=O)C(Cc2ccc(-c3ccncc3)c(C(=O)O)c2)=C(C)C1=O

HCID21919114

未命名化合物

HCID57501467

未命名化合物

PRODUCTS

生成物

结构：COC1=C(OC)C(=O)C(Cc2ccc(-c3ccncc3)c(C(=O)Nc3ccc(OC)cc3)c2)=C(C)C1=O

HCID21919131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58771414a12545a3bdaf5f2c0ad3f394
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

[CH2:55]([Cl:56])[Cl:57].[CH3:1][O:2][C:3]1=[C:8]([O:9][CH3:10])[C:7](=[O:11])[C:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:22]3[cH:23][cH:24][n:25][cH:26][cH:27]3)[c:17]([C:18](=[O:19])[OH:20])[cH:21]2)=[C:5]([CH3:28])[C:4]1=[O:29].[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([NH2:38])[cH:36][cH:37]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl-:46].[Cl:47][CH:48]1[N:49]([CH3:50])[CH2:51][CH2:52][NH+:53]1[CH3:54].[OH2:58]>>[CH3:1][O:2][C:3]1=[C:8]([O:9][CH3:10])[C:7](=[O:11])[C:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:22]3[cH:23][cH:24][n:25][cH:26][cH:27]3)[c:17]([C:18](=[O:19])[NH:38][c:35]3[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:37][cH:36]3)[cH:21]2)=[C:5]([CH3:28])[C:4]1=[O:29]