HRID1543239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID8008

Butanenitrile

C4H7N

HCID28486

Lithium ion

Li+

HCID59627712

未命名化合物

HCID59627741

未命名化合物

PRODUCTS

产物

HCID59627671

Methyl 1-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,6-difluorobiphenyl-4-yl)cyclopropanecarboxylate

C24H21F2N3O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9c14b13e7cc74a4baa02d8e21beb2cc5
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: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.[CH3:54][CH2:55][CH2:56][C:57]#[N:58].[Cl-:45].[Cl:59][CH2:60][Cl:61].[F:21][c:22]1[cH:23][c:24]([C:37]2([C:40](=[O:41])[O:42][CH3:43])[CH2:38][CH2:39]2)[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+:51].[K+:52].[K+:53].[Li+:44].[P:46]([O-:47])([O-:48])([O-:49])=[O:50]>>[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]([C:37]4([C:40](=[O:41])[O:42][CH3:43])[CH2:38][CH2:39]4)[cH:25][c:26]3[F:36])[cH:14][cH:15]2)[n:9]1