HRID201259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：COc1ccc(C(C)C#N)cc1CNC1CCCNC1c1ccccc1

HCID178490143

未命名化合物

PRODUCTS

生成物

结构：C#CC(C)(C)c1ccc(OC)c(CNC2CCCNC2c2ccccc2)c1

HCID10292149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bc598d055ac47f78acf1acf05cec066
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:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH:10]([NH:14][CH2:15][c:16]2[c:17]([O:27][CH3:28])[cH:18][cH:19][c:20]([C:22]([C:23]#[CH:24])([CH3:25])[CH3:26])[cH:21]2)[CH2:11][CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:35]([CH:36]([c:37]1[cH:38][cH:39][c:40]([O:41][CH3:42])[c:43]([CH2:45][NH:46][CH:47]2[CH2:48][CH2:49][CH2:50][NH:51][CH:52]2[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:44]1)[CH3:59])#[N:60]>>[NH:8]1[CH:9]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH:10]([NH:14][CH2:15][c:16]2[c:17]([O:27][CH3:28])[cH:18][cH:19][c:20]([C:22]([C:23]#[CH:24])([CH3:25])[CH3:26])[cH:21]2)[CH2:11][CH2:12][CH2:13]1