HRID169561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID70015

p-(Trifluoromethoxy)phenol

C7H5F3O2

HCID86619935

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccnc1Br)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

HCID86619936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db94c007338c44e4b9016c93aa1c04a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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