HRID2346609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

结构：Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(C(=O)O)nc2c1

HCID67775133

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1

HCID57378289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d1c0c6bd2a548b98332db93e5d1366e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:32]([P:33]([OH:34])([OH:35])=[O:36])[CH2:37][CH3:38].[CH3:29][NH:30][CH3:31].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[ClH:28].[N:1]1([C:5](=[O:6])[c:7]2[cH:8][n:9][n:10]([CH3:27])[c:11]2[C:12](=[O:13])[NH:14][c:15]2[cH:16][c:17]3[n:18]([cH:19][cH:20]2)[n:21][c:22]([C:24](=[O:25])[OH:26])[n:23]3)[CH2:2][CH2:3][CH2:4]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[N:1]1([C:5](=[O:6])[c:7]2[cH:8][n:9][n:10]([CH3:27])[c:11]2[C:12](=[O:13])[NH:14][c:15]2[cH:16][c:17]3[n:18]([cH:19][cH:20]2)[n:21][c:22]([C:24](=[O:25])[N:30]([CH3:29])[CH3:31])[n:23]3)[CH2:2][CH2:3][CH2:4]1