HRID1136331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10422

Azetidine

C3H7N

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

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)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1

HCID57377957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43d7e773f1e7489eab9b8072332e95e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:28]1[CH2:29][NH:30][CH2:31]1.[CH2:32]([P:33]([OH:34])([OH:35])=[O:36])[CH2:37][CH3:38].[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:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH3:1][n:2]1[n:3][cH:4][c:5]([C:25](=[O:27])[N:30]2[CH2:29][CH2:28][CH2:31]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]