HRID1208771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID21081585

2-Oxo-1-phenyl-1,2-dihydropyridine-3-carboxylic acid

C12H9NO3

结构：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1

HCID58158605

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1)c1cccn(-c2ccccc2)c1=O

HCID66968949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c206a3b841e443d1adad2a2ca873fea5
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

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