HRID1211926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID93218

2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile

C14H11NO2

结构：CC1(C)C(C#CC(=O)OCC(Cl)(Cl)Cl)C1C(=O)O

HCID13093791

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C#CC(=O)OCC(Cl)(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

HCID178425318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb99ebd989b5438facbb074547ccdcad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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