HRID1571180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID264

Butanoic acid

C4H8O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

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

HCID57980814

未命名化合物

PRODUCTS

生成物

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

HCID57980796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d948e2c397da495980fbc0f4dc5484e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:22][CH2:23][CH2:24][C:25]([OH:26])=[O:27].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[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.[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]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:25]([CH2:24][CH2:23][CH3:22])=[O:26]