HRID2156571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID3563821

Benzoic acid, 4-[(1-oxononyl)oxy]-

C16H22O4

结构：CCCCCCC(C)C(=O)c1ccc(-c2ccc(O)cc2)cc1

HCID14597486

未命名化合物

PRODUCTS

生成物

HCID3563821

Benzoic acid, 4-[(1-oxononyl)oxy]-

C16H22O4

HCID21649526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a609e291b6443f88b386f298ae15869
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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