HRID321448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

结构：Cc1c(N(Cc2ccccc2)Cc2ccc(Oc3cccc(OCCOC4CCCCO4)c3)cc2)cccc1[N+](=O)[O-]

HCID18512355

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N(Cc2ccccc2)Cc2ccc(Oc3cccc(OCCO)c3)cc2)cccc1[N+](=O)[O-]

HCID18512238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d76049cc56e478f9ac3d42ee983c37d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][c:17]2[cH:18][c:19]([O:23][CH2:24][CH2:25][O:26][CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][O:32]3)[cH:20][cH:21][cH:22]2)[cH:14][cH:15]1)[c:33]1[c:34]([CH3:42])[c:35]([N+:39](=[O:40])[O-:41])[cH:36][cH:37][cH:38]1.[CH3:60][CH2:61][OH:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[c:43]1([CH3:44])[cH:45][cH:46][c:47]([S:48]([O-:49])(=[O:50])=[O:51])[cH:52][cH:53]1.[nH+:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][c:17]2[cH:18][c:19]([O:23][CH2:24][CH2:25][OH:26])[cH:20][cH:21][cH:22]2)[cH:14][cH:15]1)[c:33]1[c:34]([CH3:42])[c:35]([N+:39](=[O:40])[O-:41])[cH:36][cH:37][cH:38]1