HRID1237662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7723

4-Chlorobenzyl chloride

C7H6Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67201670

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67199541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9c3697768f448538e82eb4ef125d137
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

[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21]([CH2:22][n:23]1[c:24]([CH2:43][CH2:44][CH3:45])[n:25][c:26]2[c:27]1[cH:28][cH:29][c:30]([NH:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]1)[cH:31]2)=[O:46].[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][Cl:7])[cH:8][cH:9]1.[K+:10].[K+:11].[O-:12][C:13]([O-:14])=[O:15].[OH2:56]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:32]([c:30]2[cH:29][cH:28][c:27]3[n:23]([CH2:22][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:46])[c:24]([CH2:43][CH2:44][CH3:45])[n:25][c:26]3[cH:31]2)[S:33](=[O:34])(=[O:35])[c:36]2[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]2)[cH:8][cH:9]1