HRID1205523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214733

未命名化合物

HCID19066423

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

HCID178490091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d00166a7cdf472ea2af2d59334bd937
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:1](#[N:2])[C:3]#[C:4][C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([O:16][CH3:17])[c:12]([CH:13]=[O:14])[cH:15]1.[C:38]([O:39][C:40]([N:41]1[CH2:42][CH2:43][CH2:44][CH:45]([NH:46][CH2:47][c:48]2[cH:49][c:50]([CH:51]([C:52]#[N:53])[CH3:54])[cH:55][cH:56][c:57]2[O:58][CH3:59])[CH:60]1[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)=[O:67])([CH3:68])([CH3:69])[CH3:70].[NH2:18][CH:19]1[CH:20]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:22][CH2:23][CH2:24]1>>[C:1](#[N:2])[C:3]#[C:4][C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([O:16][CH3:17])[c:12]([CH2:13][NH:18][CH:19]2[CH:20]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:22][CH2:23][CH2:24]2)[cH:15]1