HRID1535096

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID313215

5-methylpyrazin-2-amine

C5H7N3

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

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-94fa9dbb2613487cb78da734cbc82d0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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