HRID207144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6558

Isobutylamine

C4H11N

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：O=C(O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O

HCID57567285

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNC(=O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O

HCID57567317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0246ffaed36d45869f615b4473b59fe2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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