HRID1572863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(CO)cn3)ccc21

HCID19372836

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1

HCID19372815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c07bc661081f4a6cbae47003cc63f5d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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