HRID123421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID79647

2,6-Difluoroaniline

C6H5F2N

结构：CCOC(=O)c1c(S(=O)(=O)Cl)nn2c(C)cc(C)nc12

HCID15725415

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(S(=O)(=O)Nc2c(F)cccc2F)nn2c(C)cc(C)nc12

HCID15725419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa0e03f429954fe1a5488eb233d51f2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:16](=[O:17])([O:18][CH2:19][CH3:20])[c:21]1[c:22]([S:32](=[O:33])(=[O:34])[Cl:35])[n:23][n:24]2[c:25]1[n:26][c:27]([CH3:31])[cH:28][c:29]2[CH3:30].[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[Cl:45][CH2:46][Cl:47].[F:1][c:2]1[c:3]([NH2:4])[c:5]([F:9])[cH:6][cH:7][cH:8]1.[cH:10]1[cH:11][cH:12][n:13][cH:14][cH:15]1>>[F:1][c:2]1[c:3]([NH:4][S:32]([c:22]2[c:21]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:25]3[n:24]([n:23]2)[c:29]([CH3:30])[cH:28][c:27]([CH3:31])[n:26]3)(=[O:33])=[O:34])[c:5]([F:9])[cH:6][cH:7][cH:8]1