HRID310491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID23005333

5-Borono-2-chlorobenzoic acid

C7H6BClO4

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(Cl)c(C(=O)O)c3)cc12

HCID59275130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-226ecb9b2acb463398c3496ed50850bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[B:35]([OH:36])([OH:37])[c:38]1[cH:39][cH:40][c:41]([Cl:47])[c:42]([C:43](=[O:44])[OH:45])[cH:46]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cs+:52].[Cs+:53].[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:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[OH2:60]>>[c:7]1(-[c:38]2[cH:39][cH:40][c:41]([Cl:47])[c:42]([C:43](=[O:44])[OH:45])[cH:46]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