HRID960170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID16691

2,3,4-Trimethylpyridine

C8H11N

HCID408285

2-Morpholinoethylamine

C6H14N2O

HCID4641409

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

C10H15N6O+

结构：N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cc(S(N)(=O)=O)ccc4O)c3O)nc2c1

HCID178511944

未命名化合物

PRODUCTS

生成物

结构：N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)NCCN4CCOCC4)cc(-c4cc(S(N)(=O)=O)ccc4O)c3O)nc2c1

HCID178511941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b61dc9b56d3f473c8cc0665a4c055637
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([NH2:2])(=[NH:3])[c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9](-[c:11]3[cH:12][c:13]([CH2:29][C:30](=[O:31])[OH:32])[cH:14][c:15](-[c:18]4[c:19]([OH:28])[cH:20][cH:21][c:22]([S:24]([NH2:25])(=[O:26])=[O:27])[cH:23]4)[c:16]3[OH:17])[n:10]2)[cH:33][cH:34]1.[CH3:59][c:60]1[c:61]([CH3:62])[c:63]([CH3:64])[cH:65][cH:66][n:67]1.[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[ClH:77].[NH2:68][CH2:69][CH2:70][N:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[C:1]([NH2:2])(=[NH:3])[c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9](-[c:11]3[cH:12][c:13]([CH2:29][C:30](=[O:31])[NH:68][CH2:69][CH2:70][N:71]4[CH2:72][CH2:73][O:74][CH2:75][CH2:76]4)[cH:14][c:15](-[c:18]4[c:19]([OH:28])[cH:20][cH:21][c:22]([S:24]([NH2:25])(=[O:26])=[O:27])[cH:23]4)[c:16]3[OH:17])[n:10]2)[cH:33][cH:34]1