HRID1224412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID3603542

3-fluoroazetidine

C3H6FN

结构：Cn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1

HCID67775950

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1

HCID57377960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9c568acb7084691986b098f285aba6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:34]([P:35]([OH:36])([OH:37])=[O:38])[CH2:39][CH3:40].[CH3:1][n:2]1[n:3][cH:4][c:5]([C:25](=[O:26])[OH:27])[c:6]1[C:7]([NH:8][c:9]1[cH:10][c:11]2[n:12]([cH:13][cH:14]1)[n:15][c:16](-[c:18]1[cH:19][n:20][cH:21][cH:22][cH:23]1)[n:17]2)=[O:24].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[ClH:28].[F:29][CH:30]1[CH2:31][NH:32][CH2:33]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[CH3:1][n:2]1[n:3][cH:4][c:5]([C:25](=[O:26])[N:32]2[CH2:31][CH:30]([F:29])[CH2:33]2)[c:6]1[C:7]([NH:8][c:9]1[cH:10][c:11]2[n:12]([cH:13][cH:14]1)[n:15][c:16](-[c:18]1[cH:19][n:20][cH:21][cH:22][cH:23]1)[n:17]2)=[O:24]