HRID126044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID136315

4-Aminophenyl trifluoromethyl sulphone

C7H6F3NO2S

HCID59021481

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1)C(F)(F)F

HCID12004131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e34865eb8fa34d06af1defe386db6fb5
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:22](=[O:23])([O-:24])[O-:25].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[C:18]([F:19])([F:20])[F:21])[CH2:10][CH2:11]2.[Cs+:26].[Cs+:27].[F:28][C:29]([S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]1)([F:40])[F:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[c:2]1([NH:39][c:36]2[cH:35][cH:34][c:33]([S:30]([C:29]([F:28])([F:40])[F:41])(=[O:31])=[O:32])[cH:38][cH:37]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[C:18]([F:19])([F:20])[F:21])[CH2:10][CH2:11]2