HRID2318343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69828

Cyclopropanamine

C3H7N

结构：CC(c1ccc(-c2cccc(C(=O)O)n2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID76800577

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2cccc(C(=O)NC3CC3)n2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID178435742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ff4952af7394626b299bbc65fc63933
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

[CH:36]1([NH2:39])[CH2:37][CH2:38]1.[OH:1][C:2]([CH2:3][C:4]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[cH:20][cH:21][cH:22][c:23]([C:25](=[O:26])[OH:27])[n:24]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]>>[OH:1][C:2]([CH2:3][C:4]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[cH:20][cH:21][cH:22][c:23]([C:25](=[O:26])[NH:39][CH:36]4[CH2:37][CH2:38]4)[n:24]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]