HRID1571017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID54186952

未命名化合物

HCID178433209

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)COCCCNC(=O)c1sc(NC(=N)N)nc1C

HCID178451357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-860f97ade1464f66bdddf461b2e5597c
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

[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:43].[NH2:44][CH2:45][CH2:46][CH2:47][O:48][CH2:49][C:50](=[O:51])[O:52][CH2:53][CH2:54][CH2:55][CH3:56].[NH:1]([C:2](=[NH:3])[NH2:4])[c:5]1[s:6][c:7]([C:11](=[O:12])[OH:13])[c:8]([CH3:10])[n:9]1.[O:14]=[CH:15][N:16]([CH3:17])[CH3:18].[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>>[NH:1]([C:2](=[NH:3])[NH2:4])[c:5]1[s:6][c:7]([C:11](=[O:13])[NH:44][CH2:45][CH2:46][CH2:47][O:48][CH2:49][C:50](=[O:51])[O:52][CH2:53][CH2:54][CH2:55][CH3:56])[c:8]([CH3:10])[n:9]1