HRID1568796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID8058

n-Hexane

C6H14

结构：COc1ccc(CNc2nc(Cl)nc(Cl)c2C(=O)O)cc1Cl

HCID17848287

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(Cl)nc(Cl)nc1NCc1ccc(OC)c(Cl)c1

HCID17848359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-252eb8c73edd46c0833c94f30a7f14fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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