HRID120514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1cc(OC(C)(C)C)c(C#Cc2ccc(F)cc2)cc1N

HCID17906558

未命名化合物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-n2ccnc2)c1

HCID69592789

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(OC(C)(C)C)c(C#Cc2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-n2ccnc2)c1

HCID86758268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d7aa8a784444f36aea8805167fda06d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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