HRID100134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79341

Piperidin-4-ol

C5H11NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(O)c1cccn2c(-c3ccnc(NC4CCC(C(=O)O)CC4)n3)cnc12

HCID66616312

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1cccn2c(-c3ccnc(NC4CCC(C(=O)N5CCC(O)CC5)CC4)n3)cnc12

HCID46896570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-208d3a4315644fc9a6732ed3a97031c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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