HRID2328160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6331

Borane

H3B

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2778110

[2-Chloro-5-(trifluoromethyl)phenyl]methanol

C8H6ClF3O

结构：COC(=O)c1ccc(-c2ccc(OC)c(Br)c2)c(C)c1

HCID67066022

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3CO)c2)c(C)c1

HCID67066009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ac9b6dde15b4993b8f5d94c098936eb
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

[BH3:21].[Br:1][c:2]1[cH:3][c:4](-[c:10]2[c:11]([CH3:20])[cH:12][c:13]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:15]2)[cH:5][cH:6][c:7]1[O:8][CH3:9].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:27][c:28]1[c:29]([CH2:38][OH:39])[cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]1.[K+:26].[K+:40].[K+:41].[O-:22][C:23]([CH3:24])=[O:25].[O-:42][C:43]([O-:44])=[O:45].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:46]>>[c:2]1(-[c:28]2[c:29]([CH2:38][OH:39])[cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]2)[cH:3][c:4](-[c:10]2[c:11]([CH3:20])[cH:12][c:13]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:15]2)[cH:5][cH:6][c:7]1[O:8][CH3:9]