HRID684568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736939

1-methylpiperidine-4-carboxylic acid

C7H13NO2

结构：CC(C)NCc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1

HCID58603441

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)C1CCN(C)CC1

HCID58603392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ff652f0c1c64254b43bdedb0e6027b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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