HRID166869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID97193

4-Amino-4'-cyanobiphenyl

C13H10N2

结构：Cc1ncc(C=O)c(CN(CCCCCC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)c1OCc1ccccc1

HCID58636791

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(CNc2ccc(-c3ccc(C#N)cc3)cc2)c(CN(CCCCCC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)c1OCc1ccccc1

HCID58636715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c763c33594fd4446911f77a62a01bba5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23][c:24]1[c:25]([O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:26]([CH3:32])[n:27][cH:28][c:29]1[CH:30]=[O:31])=[O:41].[NH2:42][c:43]1[cH:44][cH:45][c:46](-[c:49]2[cH:50][cH:51][c:52]([C:55]#[N:56])[cH:53][cH:54]2)[cH:47][cH:48]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23][c:24]1[c:25]([O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:26]([CH3:32])[n:27][cH:28][c:29]1[CH2:30][NH:42][c:43]1[cH:44][cH:45][c:46](-[c:49]2[cH:50][cH:51][c:52]([C:55]#[N:56])[cH:53][cH:54]2)[cH:47][cH:48]1)=[O:41]