HRID177263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8764

Benzenamine, 4-phenoxy-

C12H11NO

HCID21025099

未命名化合物

结构：COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)OC(C)(C)C)cc3)c2c1C

HCID22179696

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C

HCID21025113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a2e0877ec4f479c81a15478ea8f3abd
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

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:18])[c:8]2[n:9]([n:10][cH:11][c:12]([C:15]#[N:16])[c:13]2[Cl:14])[cH:17]1.[CH3:33][O:34][C:35]([c:36]1[c:37]([CH3:38])[c:39]2[c:40]([NH:41][c:42]3[cH:43][cH:44][c:45]([O:46][c:47]4[cH:48][cH:49][cH:50][cH:51][c:52]4[O:53][C:54]([C:55]([O:56][C:57]([CH3:58])([CH3:59])[CH3:60])=[O:61])([CH3:62])[CH3:63])[cH:64][cH:65]3)[c:66]([C:67]#[N:68])[cH:69][n:70][n:71]2[cH:72]1)=[O:73].[O:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[cH:27][cH:28][c:29]([NH2:32])[cH:30][cH:31]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:18])[c:8]2[n:9]([n:10][cH:11][c:12]([C:15]#[N:16])[c:13]2[NH:32][c:29]2[cH:28][cH:27][c:26]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:31][cH:30]2)[cH:17]1