HRID949195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6341

Ethanamine

C2H7N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCCN43)CC2)nc1

HCID66774479

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCCN43)CC2)nc1

HCID75236101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f014eecd51e04ab2b8e83f88656987ee
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:32]([CH3:33])[N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40].[CH2:42]([NH2:43])[CH3:44].[ClH:41].[O:1]=[C:2]1[CH:3]2[N:4]([c:5]3[c:6]([cH:8][c:9]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([c:19]5[n:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30][CH2:31]2.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[O:1]=[C:2]1[CH:3]2[N:4]([c:5]3[c:6]([cH:8][c:9]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([c:19]5[n:20][cH:21][c:22]([C:23](=[O:24])[NH:34][CH2:32][CH3:33])[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30][CH2:31]2