HRID2132016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID3015937

1H-Pyrazole-4-carboxylic acid

C4H4N2O2

HCID14625102

3-({4-[(Piperidin-1-yl)methyl]pyridin-2-yl}oxy)propan-1-amine

C14H23N3O

PRODUCTS

生成物

结构：O=C(NCCCOc1cc(CN2CCCCC2)ccn1)c1cn[nH]c1

HCID19962879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d5fdaa6153e4cea98b806ffcaf5ed70
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

[C:27]([P:28](=[O:29])([O:30][CH2:31][CH3:32])[O:33][CH2:34][CH3:35])#[N:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[N:1]1([CH2:7][c:8]2[cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][NH2:18])[n:11][cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:49].[nH:19]1[n:20][cH:21][c:22]([C:24](=[O:25])[OH:26])[cH:23]1>>[N:1]1([CH2:7][c:8]2[cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][NH:18][C:24]([c:22]3[cH:21][nH:20][n:19][cH:23]3)=[O:25])[n:11][cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1