HRID2334587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID720529

3-(tert-butyl)-1-methyl-1h-pyrazole-5-carboxylic acid

C9H14N2O2

HCID4641409

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

C10H15N6O+

结构：CC(C)N(C)C1CCC(N2CCC(N)C2=O)C(CS(=O)(=O)C(C)C)C1

HCID178457056

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)C1CCC(N2CCC(NC(=O)c3cc(C(C)(C)C)nn3C)C2=O)C(CS(=O)(=O)C(C)C)C1

HCID178457060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4979d7ab833458fbb379ed54c9b3e0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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