HRID1203511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7918

Acetic anhydride

C4H6O3

HCID19660

Carbonate

CO3-2

HCID32051

Zinc (II) cation

Zn+2

HCID2763191

4-Formyl-2-methylthiazole

C5H5NOS

HCID22347424

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C=Cc2nc3ccc(F)cc3c(=O)n2-c2cccnc2C)cs1

HCID49826222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d3713862bc042b1be35f851d2e6e395
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:21][C:22]([O:23][C:24](=[O:25])[CH3:26])=[O:27].[CH3:28][c:29]1[s:30][cH:31][c:32]([CH:34]=[O:35])[n:33]1.[CH3:46][OH:47].[Cl-:43].[Cl-:45].[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:20])[n:6](-[c:13]3[c:14]([CH3:19])[n:15][cH:16][cH:17][cH:18]3)[c:7]([CH3:12])[n:8][c:9]2[cH:10][cH:11]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:42].[Zn+2:44]>>[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:20])[n:6](-[c:13]3[c:14]([CH3:19])[n:15][cH:16][cH:17][cH:18]3)[c:7]([CH:12]=[CH:34][c:32]3[cH:31][s:30][c:29]([CH3:28])[n:33]3)[n:8][c:9]2[cH:10][cH:11]1