HRID2330945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID12807387

未命名化合物

HCID15052674

7-(5-Hydroxyhexyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

C13H20N4O3

PRODUCTS

生成物

HCID53739414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e4b199c063c47abb8a49ee571738b4f
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

[CH3:1][n:2]1[c:3](=[O:4])[n:5]([CH3:20])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH2:14][CH2:15][CH2:16][CH:17]([CH3:18])[OH:19])[c:10]2[c:11]1=[O:12].[CH3:32][CH2:33][O:34][CH2:35][CH3:36].[CH3:37][n:38]1[c:39](=[O:40])[c:41]2[n:42]([CH2:43][CH2:44][CH2:45][CH2:46][CH:47]=[CH2:48])[cH:49][n:50][c:51]2[n:52]([CH3:53])[c:54]1=[O:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[CH3:1][n:2]1[c:3](=[O:4])[n:5]([CH3:20])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH3:18])[c:10]2[c:11]1=[O:12]