HRID2320490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID44119154

5-Borono-2-methoxybenzoic acid

C8H9BO5

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OS(=O)(=O)C(F)(F)F)cc12

HCID59275663

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3ccc(OC)c(C(=O)O)c3)cc12

HCID59275593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-340c10bb152741aabddd0ba0d6905221
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

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