HRID93201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID10442

1,3-Propanediol

C3H8O2

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

HCID58016193

未命名化合物

PRODUCTS

生成物

结构：CC1(C)COC(c2ccc(C(C)(C)C)cc2C2OCCCO2)=N1

HCID59473814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5376de6ad6874d158d9b4dabfc54bee4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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