HRID203603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID69828

Cyclopropanamine

C3H7N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCN43)CC2)nc1

HCID66774343

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC1)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCN43)CC2)nc1

HCID69676290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4180c59e8b1f4222b06d66f2e946916d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:31]1([NH2:34])[CH2:32][CH2:33]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[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]2.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[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][CH:31]6[CH2:32][CH2:33]6)[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30]2