HRID948312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID59202026

未命名化合物

HCID59272935

3-Methyl-4-[(propan-2-yl)oxy]benzoic acid

C11H14O3

PRODUCTS

生成物

结构：CCc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)c(C)c2)cc(C)c1OCc1ccccc1

HCID67444033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-956c1bb4b2314126b35c2aa45cc891e7
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:20][CH3:21])[cH:11][c:12]([C:13](=[O:14])[NH:15][NH2:16])[cH:17][c:18]1[CH3:19].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH:30]([CH3:31])([CH3:32])[O:33][c:34]1[c:35]([CH3:43])[cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42]1.[Cl-:29].[Cl:44][CH2:45][Cl:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:20][CH3:21])[cH:11][c:12]([C:13](=[O:14])[NH:15][NH:16][C:38]([c:37]2[cH:36][c:35]([CH3:43])[c:34]([O:33][CH:30]([CH3:31])[CH3:32])[cH:42][cH:41]2)=[O:39])[cH:17][c:18]1[CH3:19]