HRID1561398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

HCID4962212

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCc1ccccc1

HCID66587122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02ff830e9ab54374a7809cb8f7a81a13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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