HRID1215767

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

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID81850

Methyl 4-(chlorocarbonyl)benzoate

C9H7ClO3

HCID23282901

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)N2CCC(C)(NC(=O)OCc3ccccc3)CC2)cc1

HCID66757040

4-(4-Benzyloxycarbonylamino-4-methyl-piperidine-1-carbonyl)benzoic Acid Methyl Ester

C23H26N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0be075e4631f4f2b9fa52daf3db0440d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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