HRID686370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID7519

Anisole

C7H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID61668

Boronic acid

H3BO2

结构：COC(=O)c1cc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)ccc1OS(=O)(=O)C(F)(F)F

HCID21919171

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)ccc1-c1ccccc1OC

HCID21919154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f9ab70d3cd5433ebc87c7ffe2bf624f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH:43]([OH:44])[OH:45].[CH3:1][O:2][c:3]1[c:4]([CH3:34])[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([O:17][S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16]2)[c:25]([O:32][CH3:33])[c:26]([O:30][CH3:31])[c:27]1[O:28][CH3:29].[CH3:46][O:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl-:42].[Li+:41].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40]>>[CH3:1][O:2][c:3]1[c:4]([CH3:34])[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10](-[c:49]3[c:48]([O:47][CH3:46])[cH:53][cH:52][cH:51][cH:50]3)[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16]2)[c:25]([O:32][CH3:33])[c:26]([O:30][CH3:31])[c:27]1[O:28][CH3:29]