HRID1133248

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

HCID11368883

3,5-DIACETOXYBENZOYL CHLORIDE

C11H9ClO5

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

HCID59301725

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1cc(C=Cc2ccc(OC(=O)CCl)cc2)cc(OC(C)=O)c1

HCID72251221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5aa4851b9d274148add2f1804d5060c4
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

[C:31]([CH3:32])(=[O:33])[O:34][c:35]1[cH:36][c:37]([C:38]([Cl:39])=[O:40])[cH:41][c:42]([O:44][C:45]([CH3:46])=[O:47])[cH:43]1.[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH3:74][c:75]1[cH:76][cH:77][c:78]([CH3:79])[cH:80][cH:81]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].[Cl:48][CH2:49][C:50](=[O:51])[O:52][c:53]1[cH:54][cH:55][c:56]([CH:57]=[CH2:58])[cH:59][cH:60]1>>[C:31]([CH3:32])(=[O:33])[O:34][c:35]1[cH:36][c:37]([CH:38]=[CH:57][c:56]2[cH:55][cH:54][c:53]([O:52][C:50]([CH2:49][Cl:48])=[O:51])[cH:60][cH:59]2)[cH:41][c:42]([O:44][C:45]([CH3:46])=[O:47])[cH:43]1