HRID1542431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6386

tert-Butyl alcohol

C4H10O

结构：COC(=O)Cc1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(F)c1

HCID59627677

[1,1′-Biphenyl]-4-acetic acid, 4′-[6-(aminocarbonyl)-3,5-dimethyl-2-pyrazinyl]-2-fluoro-, methyl ester

C22H20FN3O3

PRODUCTS

生成物

结构：Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)O)cc3F)cc2)nc1C(N)=O

HCID59627660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d35bb74b56b427fa944fc461f057e4f
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

[C:3]([NH2:4])(=[O:5])[c:6]1[c:7]([CH3:31])[n:8][c:9]([CH3:30])[c:10](-[c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([F:29])[cH:20][c:21]([CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:22][cH:23]3)[cH:16][cH:17]2)[n:11]1.[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][C:37]([OH:38])([CH3:39])[CH3:40].[CH3:41][CH2:42][OH:43].[K+:2].[OH-:1]>>[C:3]([NH2:4])(=[O:5])[c:6]1[c:7]([CH3:31])[n:8][c:9]([CH3:30])[c:10](-[c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([F:29])[cH:20][c:21]([CH2:24][C:25](=[O:26])[OH:27])[cH:22][cH:23]3)[cH:16][cH:17]2)[n:11]1