HRID2313213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID6344

Dichloromethane

CH2Cl2

HCID8021

Diethylamine

C4H11N

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)C(Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1C)C(=O)O

HCID53652163

未命名化合物

PRODUCTS

生成物

结构：C=C(Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1C)C(=O)OCC

HCID53943554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf9509503c1f4398aa9185a77df52782
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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