HRID179849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID1515259

Methyl 4-piperidineacetate

C8H15NO2

HCID16227474

1-(5-Cyano-2-pyridinyl)-4-piperidinecarboxylic acid

C12H13N3O2

PRODUCTS

生成物

结构：COC(=O)CC1CCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1

HCID19391504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c362bbfd0d94f8e8832e23e54aceba1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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