HRID2321475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6276

1-Pentanol

C5H12O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

结构：C#CC(CC(=O)O)NC(=O)C1CCCN(C(=O)C=CC2CCN(C(=O)OC(C)(C)C)CC2)C1

HCID178447625

未命名化合物

PRODUCTS

生成物

结构：C#CC(CC(=O)OCCCCC)NC(=O)C1CCCN(C(=O)C=CC2CCN(C(=O)OC(C)(C)C)CC2)C1

HCID178447530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f804f82180944cbb29e5d7f1ae94b49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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