HRID204512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID27099

Copper(2+)

Cu+2

HCID725711

5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid

C6H5ClN2O2S

结构：Cc1ccc(C)c(-n2nc(-c3ccc(F)cc3)cc2N)c1

HCID43381438

未命名化合物

PRODUCTS

生成物

结构：CSc1ncc(Nc2cc(-c3ccc(F)cc3)nn2-c2cc(C)ccc2C)c(C(=O)O)n1

HCID44193430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-005d2adefe0b497db3692fd95e8cf500
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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