HRID1556730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID57919160

1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrazol-3-amine

C9H15N3O2

结构：CC(C)(C)CCC(C(=O)O)N1CC(Oc2ccccc2Cl)=CC1=O

HCID66895303

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CCC(C(=O)Nc1ccn(CC2COC(C)(C)O2)n1)N1CC(Oc2ccccc2Cl)=CC1=O

HCID178443823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7ebc563f98548cc997bc63a8bae551a
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

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