HRID2328606

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

HCID2734675

2-Fluoro-4-hydroxybenzonitrile

C7H4FNO

HCID53984901

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(C=CCOc2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1

HCID54135820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-279ed467a2404bc382cb90c8201afc38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:11]([CH2:12][CH2:13][CH2:14][CH3:15])[CH:16]1[CH2:17][CH2:18][CH:19]([CH:22]=[CH:23][CH2:24][O:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[CH2:20][CH2:21]1.[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[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.[Cl:59][CH2:60][Cl:61].[OH:1][c:2]1[cH:3][c:4]([F:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[O:1]([c:2]1[cH:3][c:4]([F:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1)[C:30]([c:29]1[cH:28][cH:27][c:26]([O:25][CH2:24][CH:23]=[CH:22][CH:19]2[CH2:18][CH2:17][CH:16]([CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[CH2:21][CH2:20]2)[cH:34][cH:33]1)=[O:31]