HRID162592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID271

Calcium ion

Ca+2

HCID961

Hydroxide

HO-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID2758231

3',5'-Dichloro-2,2,2-trifluoroacetophenone

C8H3Cl2F3O

HCID46222385

1-Naphthalenecarboxylic acid, 4-acetyl-, methyl ester

C14H12O3

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)C=C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)c2ccccc12

HCID66865184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0d69d6acfe547d4a811fe972f8db2d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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