HRID169443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID13923314

N,N'-(7H-Purine-2,6-diyl)diacetamide

C9H10N6O2

结构：CC(=O)OC1(C(C)=O)C(O)C(CO)OC1(Cl)C(C)=O

HCID178475545

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(NC(C)=O)c2ncn(C3(C(C)=O)OC(CO)C(O)C3(OC(C)=O)C(C)=O)c2n1

HCID178474464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa702ac072ac4d8a80c2623053eb1eb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:19]([CH3:20])(=[O:21])[O:22][C:23]1([C:35]([CH3:36])=[O:37])[C:24]([C:31]([CH3:32])=[O:33])([Cl:34])[O:25][CH:26]([CH2:29][OH:30])[CH:27]1[OH:28].[C:2]([CH3:3])(=[O:4])[NH:5][c:6]1[n:7][c:8]([NH:15][C:16]([CH3:17])=[O:18])[c:9]2[nH:10][cH:11][n:12][c:13]2[n:14]1.[Cl-:1]>>[C:2]([CH3:3])(=[O:4])[NH:5][c:6]1[n:7][c:8]([NH:15][C:16]([CH3:17])=[O:18])[c:9]2[n:10][cH:11][n:12]([C:24]3([C:31]([CH3:32])=[O:33])[C:23]([O:22][C:19]([CH3:20])=[O:21])([C:35]([CH3:36])=[O:37])[CH:27]([OH:28])[CH:26]([CH2:29][OH:30])[O:25]3)[c:13]2[n:14]1