HRID2142776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8764

Benzenamine, 4-phenoxy-

C12H11NO

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

HCID69326995

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnn2c1

HCID69649294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b061ccf384844b74ba43dad15df0355f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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