HRID1232925

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

HCID4641409

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

C10H15N6O+

HCID61702025

未命名化合物

HCID68555149

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(n1)c(C)cn2NC(=O)c1cnc(-c2ccccn2)nc1C

HCID59200042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-588d3d6e388e4b158479f6bd23ab95f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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