HRID1542275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID72854

3-[4-(1-Methylethyl)phenyl]-2-propenoic acid

C12H14O2

结构：CC(C)(Oc1cccc(C2CCCNC2)c1)C(=O)OCc1ccccc1

HCID68883956

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(C=CC(=O)N2CCCC(c3cccc(OC(C)(C)C(=O)OCc4ccccc4)c3)C2)cc1

HCID68885248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01a28193ff4643118a36de1ad5475102
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

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