HRID1123054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID80366

2,2,2-Trifluoroethyl triflate

C3H2F6O3S

结构：CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OCC)c4ccccc4c3O)C2=O)c(Cl)c1

HCID58012488

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OCC(F)(F)F)c4ccccc4c3OCC)C2=O)c(Cl)c1

HCID58012482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccce831449574ffbb9779666f5eed566
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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