HRID317090

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

HCID22250

N-Methyl-4-anisidine

C8H11NO

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)N(C)c3ccc(OC)cc3)c2)=C(C)C1=O

HCID22054325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f517a93d3824eb6aa86fc4b478d1ad6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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