HRID107915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8082

Piperidine

C5H11N

HCID9740

Cyanoacetic acid

C3H3NO2

HCID68023

4-Fluorobenzaldehyde

C7H5FO

HCID85257

Methanesulfonate

CH3O3S-

HCID4436857

N-[(1,1-Dimethylethoxy)carbonyl]-N-methylalanine

C9H17NO4

HCID6483796

3-(4-fluorophenyl)propan-1-amine

C9H12FN

PRODUCTS

生成物

结构：CC(C(=O)NCCCc1ccc(F)cc1)N(C)C(=O)OC(C)(C)C

HCID178460134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56821bba1d0146709ee535ec132f14d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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