HRID1540941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID19660

Carbonate

CO3-2

HCID79799

p-Tolueneboronic acid

C7H9BO2

结构：CC(C)(C)OC(=O)c1cc(Br)cc(C(O)(C(F)(F)F)C(F)(F)F)c1

HCID86646752

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1

HCID86646751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d45156c24c94802bccae0bab809c3a7
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

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