HRID1211287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214733

未命名化合物

HCID19066489

未命名化合物

结构：COc1ccc(C(C)C#N)cc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1

HCID178490144

未命名化合物

PRODUCTS

生成物

结构：C#CC(C)(C)c1ccc(OC)c(CNC2CCCN(C(=O)OC(C)(C)C)C2c2ccccc2)c1

HCID178442189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e0ce902c0fc423e9391838bfdf20320
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:36]([O:37][C:38]([N:39]1[CH2:40][CH2:41][CH2:42][CH:43]([NH:44][CH2:45][c:46]2[cH:47][c:48]([CH:49]([C:50]#[N:51])[CH3:52])[cH:53][cH:54][c:55]2[O:56][CH3:57])[CH:58]1[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)=[O:65])([CH3:66])([CH3:67])[CH3:68].[CH3:1][O:2][c:3]1[c:4]([CH:5]=[O:6])[cH:7][c:8]([C:11]([C:12]#[CH:13])([CH3:14])[CH3:15])[cH:9][cH:10]1.[NH2:16][CH:17]1[CH:18]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[N:19]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:20][CH2:21][CH2:22]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:16][CH:17]2[CH:18]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[N:19]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:20][CH2:21][CH2:22]2)[cH:7][c:8]([C:11]([C:12]#[CH:13])([CH3:14])[CH3:15])[cH:9][cH:10]1