HRID1147158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15914

Phenyltrimethylammonium

C9H14N+

结构：C=CCN1CCc2cc(OC)c(O)c3c2C1Cc1cc(OC)c(OC)cc1-3

HCID13109064

未命名化合物

PRODUCTS

生成物

结构：C=CCN1CCc2cc(OC)c(OC)c3c2C1Cc1cc(OC)c(OC)cc1-3

HCID13109067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4169b9419c784351ad6d0d3b5e98837d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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