HRID124290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)O

HCID128570

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCO

HCID54253407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bb92f960c50486da372a81461d033d4
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:30]([Cl:31])(=[O:32])[O:33][CH2:34][CH3:35].[CH3:1][C:2](=[CH:3][C:4](=[O:5])[OH:6])[CH2:7][CH2:8][CH:9]=[C:10]([CH2:11][CH2:12][CH:13]=[C:14]([CH2:15][CH2:16][CH:17]=[C:18]([CH3:19])[CH3:20])[CH3:21])[CH3:22].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[NH2:36][CH2:37][CH2:38][OH:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:45]>>[CH3:1][C:2](=[CH:3][C:4](=[O:6])[NH:36][CH2:37][CH2:38][OH:39])[CH2:7][CH2:8][CH:9]=[C:10]([CH2:11][CH2:12][CH:13]=[C:14]([CH2:15][CH2:16][CH:17]=[C:18]([CH3:19])[CH3:20])[CH3:21])[CH3:22]