HRID1141252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

反应SMILES：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(C=O)CC)C1=O

HCID76834374

未命名化合物

PRODUCTS

产物

反应SMILES：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O

HCID76834721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9cadeb0257bb4939874b2320c331b225
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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