HRID153392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15914

Phenyltrimethylammonium

C9H14N+

结构：COc1cc2c3c(c1O)CN(C)CC3Cc1cc3c(cc1-2)OCO3

HCID12802077

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c3c(c1OC)CN(C)CC3Cc1cc3c(cc1-2)OCO3

HCID12802078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a690380f7cd443ab98486307b6acbbe8
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

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