HRID1565520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6329

Methylamine

CH5N

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：CNC(=O)c1cccc(-c2ccc(C(C)N3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)cc2)n1

HCID178485313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bfb57b521b14a9a83eab62e3b3ba82a
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

[CH3:36][NH2:37].[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:37][CH3:36])[n:24]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]