HRID2317923

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：CC(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1

HCID67776711

未命名化合物

PRODUCTS

生成物

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

HCID57378065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91cda99a00724e448d0d204bc71e07fe
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

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