HRID2124552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID117782

1-Piperidinepropanoic acid

C8H15NO2

HCID2733205

未命名化合物

结构：CC(Nc1ncnc2[nH]c(-c3ccc(CN)cc3)cc12)c1ccccc1

HCID69234283

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1ncnc2[nH]c(-c3ccc(CNC(=O)CCN4CCCCC4)cc3)cc12)c1ccccc1

HCID178463517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e2befe453c94583a2e46762dd75ed32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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