HRID193259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)C)no4)c3)c2cc1OC

HCID44243435

未命名化合物

HCID49841002

未命名化合物

HCID66876218

未命名化合物

PRODUCTS

生成物

结构：COCC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)on1

HCID58267841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5019c50879a94f04a638b1828fcd9d08
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

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([NH2:19])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:23][O:24][CH2:25][C:26]([CH3:27])([CH3:28])[c:29]1[n:30][o:31][c:32]([NH:34][C:35]([O:36][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:37])[cH:33]1.[CH3:44][O:45][c:46]1[cH:47][c:48]2[c:49]([cH:50][c:51]1[O:52][CH3:53])[n:54][cH:55][n:56][c:57]2[O:58][c:59]1[cH:60][c:61]([NH:62][C:63]([NH:64][c:65]2[o:66][n:67][c:68]([CH:69]([CH3:70])[CH3:71])[cH:72]2)=[O:73])[cH:74][cH:75][cH:76]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([NH:19][C:35]([NH:34][c:32]4[o:31][n:30][c:29]([C:26]([CH2:25][O:24][CH3:23])([CH3:27])[CH3:28])[cH:33]4)=[O:36])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]