HRID1124712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc5cc(OCc6ccccc6)ccc5c4)cc4ccnn34)cc2)cc1

HCID67319336

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc5cc(O)ccc5c4)cc4ccnn34)cc2)cc1

HCID136388310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efcd73d08a454bba867feaae914b4655
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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