HRID172295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2779236

5-(2-Phenyleth-1-Ynyl)Nicotinic Acid

C14H9NO2

HCID178508178

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1cncc(C#Cc2ccccc2)c1

HCID58724473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-278f8a2709f8404197e0900f7df17fa0
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

[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[Na+:64].[O-:60][C:61]([OH:62])=[O:63].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:79].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[c:1]1([C:7]#[C:8][c:9]2[cH:10][n:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1.[nH:42]1[c:43]([NH:47][C:48](=[O:49])[c:50]2[cH:51][cH:52][cH:53][c:54]3[n:55][c:56]([NH2:59])[nH:57][c:58]23)[n:44][cH:45][cH:46]1>>[c:1]1([C:7]#[C:8][c:9]2[cH:10][n:11][cH:12][c:13]([C:14](=[O:16])[NH:59][c:56]3[nH:55][c:54]4[cH:53][cH:52][cH:51][c:50]([C:48]([NH:47][c:43]5[n:42][cH:46][cH:45][nH:44]5)=[O:49])[c:58]4[n:57]3)[cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1