HRID681597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CC(=O)OC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

HCID229578

1-O-Acetyl-2,3,5-tri-O-benzoylpentofuranose

C28H24O9

HCID178499122

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ncn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)n1

HCID13456802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f83fa30926924fe3837d0e0fabecb9bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:10]([O:11][CH:14]1[CH:15]([O:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[CH:25]([O:26][C:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[O:34])[CH:35]([CH2:37][O:38][C:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)=[O:46])[O:36]1)(=[O:12])[CH3:13].[CH3:58][OH:59].[c:47]1([CH3:48])[cH:49][cH:50][c:51]([S:52]([OH:53])(=[O:54])=[O:55])[cH:56][cH:57]1.[nH:1]1[n:2][c:3]([C:6](=[O:7])[O:8][CH3:9])[n:4][cH:5]1>>[n:1]1([CH:14]2[CH:15]([O:16][C:17]([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)=[O:24])[CH:25]([O:26][C:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)=[O:34])[CH:35]([CH2:37][O:38][C:39]([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)=[O:46])[O:36]2)[n:2][c:3]([C:6](=[O:7])[O:8][CH3:9])[n:4][cH:5]1