HRID156812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：CC(C)(C)OC(=O)N1CCC(c2ccccc2)C(C(=O)O)C1

HCID22116100

1-(tert-Butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid

C17H23NO4

PRODUCTS

生成物

结构：COC(=O)C1CN(C(=O)OC(C)(C)C)CCC1c1ccccc1

HCID22116087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a43aa82d47ac463eb6676c510503c8db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:20](=[O:21])[OH:22])[CH:11]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:49][OH:50].[Cl-:42].[ClH:23].[NH4+:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:20](=[O:21])[O:22][CH3:24])[CH:11]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1