HRID317432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID8082

Piperidine

C5H11N

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID20536441

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCNc1ccc(C(=O)N2CCCCC2)cc1F

HCID54178619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01561e73e0744491a60a89dfc9e79449
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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