HRID180389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID19909

2-Amino-1,3,4-thiadiazole

C2H3N3S

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2762725

3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid

C14H16Cl2O2

PRODUCTS

生成物

结构：O=C(Nc1nncs1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

HCID22315164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-886b721d03c84a03b52b250e4bd22349
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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