HRID165256

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

HCID46222385

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

C14H12O3

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F

HCID46222386

未命名化合物

PRODUCTS

生成物

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

HCID75153691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a35270dd84df45da86ba8283ca19f2dc
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.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:46][O:47][C:48]([CH3:49])([CH3:50])[CH3:51].[Ca+2:39].[F:18][C:19]([c:20]1[cH:21][c:22]([C:30]([C:31]([F:32])([F:33])[F:34])=[O:35])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1)([F:36])[F:37].[OH-:38].[OH-:40]>>[C:1]([CH:2]=[C:30]([c:22]1[cH:21][c:20]([C:19]([F:18])([F:36])[F:37])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23]1)[C:31]([F:32])([F:33])[F:34])(=[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