HRID1570139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID43715358

未命名化合物

HCID57554469

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(C(=O)c1ccc(C#Cc2ccc(CCCC)cc2)cc1)c1ccc(F)c(C(=O)OC)c1

HCID57554561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35ebca478dfc4312b3602293c46b565d
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

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