HRID161182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID124656

Isoquinoline-3-carboxylic acid

C10H7NO2

HCID4641409

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

C10H15N6O+

结构：CC(=O)NCCNc1nc(-c2ccc(Cl)cc2)nc(NCCN)c1C

HCID22379264

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCNc1nc(-c2ccc(Cl)cc2)nc(NCCNC(=O)c2cc3ccccc3cn2)c1C

HCID22379232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-469c3fac99a14ac2a705c3ec6c0a51bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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