HRID689219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID254249

2-Chloro-5-(methoxycarbonyl)pyridine

C7H6ClNO2

结构：Cc1cc(C(O)(C(C)c2ccc(Br)cc2Cl)C(F)(F)F)ccn1

HCID57421291

α-[1-(4-Bromo-2-chlorophenyl)ethyl]-2-methyl-α-(trifluoromethyl)-4-pyridinemethanol

C16H14BrClF3NO

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccnc(C)c3)C(F)(F)F)c(Cl)c2)nc1

HCID66699166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b10f44e41f71458fad4df5136cd94fa4
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

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