HRID215265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214733

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

HCID178490298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-354b9b8b21564ffc84c87aeb716e8d05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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