HRID281947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID75710

m-Fluorobenzenethiol

C6H5FS

结构：Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(C)OS(=O)(=O)c2cccc(Cl)c2C)ns1

HCID21081411

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(C)Sc2cccc(F)c2)ns1

HCID21081431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ef988201f674796bb42189a094b6236
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

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