HRID2329325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID7972

4-Methylmorpholine

C5H11NO

HCID204484

Propylphosphonic acid

C3H9O3P

HCID313215

5-methylpyrazin-2-amine

C5H7N3

结构：COCC(C)Oc1cc(Oc2cnc(C(=O)N3CCC3)cn2)cc(C(=O)O)c1

HCID67488138

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(Oc2cnc(C(=O)N3CCC3)cn2)cc(C(=O)Nc2cnc(C)cn2)c1

HCID73224028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9916715c95c84dd5adee69579da71b86
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

[CH2:50]([P:51]([OH:52])(=[O:53])[OH:54])[CH2:55][CH3:56].[CH3:29][c:30]1[n:31][cH:32][c:33]([NH2:36])[n:34][cH:35]1.[CH3:37][CH:38]1[CH2:39][CH2:40][CH2:41][O:42]1.[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[N:1]1([C:5](=[O:6])[c:7]2[n:8][cH:9][c:10]([O:13][c:14]3[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][c:21]([O:23][CH:24]([CH2:25][O:26][CH3:27])[CH3:28])[cH:22]3)[n:11][cH:12]2)[CH2:2][CH2:3][CH2:4]1>>[N:1]1([C:5](=[O:6])[c:7]2[n:8][cH:9][c:10]([O:13][c:14]3[cH:15][c:16]([C:17](=[O:19])[NH:36][c:33]4[cH:32][n:31][c:30]([CH3:29])[cH:35][n:34]4)[cH:20][c:21]([O:23][CH:24]([CH2:25][O:26][CH3:27])[CH3:28])[cH:22]3)[n:11][cH:12]2)[CH2:2][CH2:3][CH2:4]1