HRID824757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

HCID57980814

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

HCID57980798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b33d4ed80a554c36b50f6c1011a66f0f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:22][C:23]([OH:24])=[O:25].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:50]([NH:51][CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]1)[cH:10]2.[OH2:68].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]1)[cH:10]2)[C:23]([CH3:22])=[O:24]