HRID285022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID6228

Dimethylformamide

C3H7NO

HCID28179

Fluoride

F-

反应SMILES：COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(CBr)C2=O

HCID10882577

未命名化合物

HCID178516161

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C(F)(F)F)nn1-c1ncccn1)C2=O

HCID86752550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d92b05b561314b2b8cdc5b3f0dd01094
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

[Br:19][CH2:20][N:21]1[S:22](=[O:36])(=[O:37])[c:23]2[c:24]([c:27]([CH:33]([CH3:34])[CH3:35])[cH:28][c:29]([O:31][CH3:32])[cH:30]2)[C:25]1=[O:26].[Cl-:43].[F-:17].[K+:18].[NH4+:44].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[n:1]1[c:2](-[n:7]2[n:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][c:11]2[OH:12])[n:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[n:7]2[n:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][c:11]2[O:12][CH2:20][N:21]2[S:22](=[O:36])(=[O:37])[c:23]3[c:24]([c:27]([CH:33]([CH3:34])[CH3:35])[cH:28][c:29]([O:31][CH3:32])[cH:30]3)[C:25]2=[O:26])[n:3][cH:4][cH:5][cH:6]1