HRID2328087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID83795

1-Acetylpiperazine

C6H12N2O

反应SMILES：COC(=O)CCc1ccc(Oc2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1

HCID59762802

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)CCc1ccc(Oc2ccc(CC(NC(=O)OC(C)(C)C)C(=O)N3CCN(C(C)=O)CC3)cc2)cc1

HCID59762806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6a2a5173665d43c3ba0708878cc27be1
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])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][c:21]2[cH:22][cH:23][c:24]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:25][cH:26]2)[cH:18][cH:19]1.[C:40]([CH3:41])(=[O:42])[N:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:49][CH2:50][Cl:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[N:46]1[CH2:45][CH2:44][N:43]([C:40]([CH3:41])=[O:42])[CH2:48][CH2:47]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][c:21]2[cH:22][cH:23][c:24]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:25][cH:26]2)[cH:18][cH:19]1