HRID99397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10009

3-Pyridinamine

C5H6N2

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

HCID22054271

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(OC(C)=O)c(C(=O)Nc3cccnc3)c2)=C(C)C1=O

HCID22054295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71e5532bc81d43d4b209434d124ce1f2
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

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