HRID181397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID980

4-Nitrophenol

C6H5NO3

HCID6342

Acetonitrile

C2H3N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID12906138

10-(2-Hydroxy-3,4-dimethoxy-6-methylphenyl)decanoic acid

C19H30O5

PRODUCTS

生成物

结构：COc1cc(C)c(CCCCCCCCCC(=O)Oc2ccc([N+](=O)[O-])cc2)c(O)c1OC

HCID54032917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc4f56b80a464264b6a5d179b9cc02cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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