HRID308232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID7809

p-Xylene

C8H10

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID75821

4-Ethenylphenyl acetate

C10H10O2

结构：CC(C)c1cccc(C(C)C)c1N1CC[NH+](c2c(C(C)C)cccc2C(C)C)C1

HCID20732211

未命名化合物

HCID59301730

未命名化合物

PRODUCTS

生成物

结构：COCOc1cc(C=Cc2ccc(OC(C)=O)cc2)cc(OCOC)c1

HCID67170243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-078d157646c24536ac2029a05e31ee10
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

[C:48]([CH3:49])(=[O:50])[O:51][c:52]1[cH:53][cH:54][c:55]([CH:56]=[CH2:57])[cH:58][cH:59]1.[CH3:31][O:32][CH2:33][O:34][c:35]1[cH:36][c:37]([C:38]([Cl:39])=[O:40])[cH:41][c:42]([O:44][CH2:45][O:46][CH3:47])[cH:43]1.[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH3:73][c:74]1[cH:75][cH:76][c:77]([CH3:78])[cH:79][cH:80]1.[CH:2]([c:3]1[cH:4][cH:5][cH:6][c:7]([CH:8]([CH3:9])[CH3:10])[c:11]1[NH+:12]1[CH2:13][CH2:14][N:15]([c:16]2[c:17]([CH:18]([CH3:19])[CH3:20])[cH:21][cH:22][cH:23][c:24]2[CH:25]([CH3:26])[CH3:27])[CH2:28]1)([CH3:29])[CH3:30].[Cl-:1]>>[CH3:31][O:32][CH2:33][O:34][c:35]1[cH:36][c:37]([CH:38]=[CH:56][c:55]2[cH:54][cH:53][c:52]([O:51][C:48]([CH3:49])=[O:50])[cH:59][cH:58]2)[cH:41][c:42]([O:44][CH2:45][O:46][CH3:47])[cH:43]1