HRID307374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID8008

Butanenitrile

C4H7N

结构：COC(=O)Cc1cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c1

HCID59627659

未命名化合物

HCID59627741

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cc(F)c(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(F)c1

HCID59627664

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

C22H19F2N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b70533b0bdb421cb8b88b4d282cbfce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([NH2:2])(=[O:3])[c:4]1[c:5]([CH3:20])[n:6][c:7]([CH3:19])[c:8](-[c:10]2[cH:11][cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]2)[n:9]1.[CH3:53][CH2:54][CH2:55][C:56]#[N:57].[Cl:50][CH2:51][Cl:52].[F:21][c:22]1[cH:23][c:24]([CH2:37][C:38](=[O:39])[O:40][CH3:41])[cH:25][c:26]([F:36])[c:27]1[O:28][S:29]([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35].[K+:47].[K+:48].[K+:49].[P:42]([O-:43])([O-:44])([O-:45])=[O:46]>>[C:1]([NH2:2])(=[O:3])[c:4]1[c:5]([CH3:20])[n:6][c:7]([CH3:19])[c:8](-[c:10]2[cH:11][cH:12][c:13](-[c:27]3[c:22]([F:21])[cH:23][c:24]([CH2:37][C:38](=[O:39])[O:40][CH3:41])[cH:25][c:26]3[F:36])[cH:14][cH:15]2)[n:9]1