HRID165659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

结构：CNc1ccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)cc1[N+](=O)[O-]

HCID58729034

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)cc1N

HCID58729140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65a27f515273440c825216b4b28b66c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:38])[c:14](-[c:18]3[n:19][c:20]([NH:26][c:27]4[cH:28][c:29]([N+:35]([O-:36])=[O:37])[c:30]([NH:33][CH3:34])[cH:31][cH:32]4)[c:21](=[O:25])[n:22]([CH3:24])[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:39][cH:40]1.[CH3:41][CH2:42][OH:43].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[H:44][H:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:38])[c:14](-[c:18]3[n:19][c:20]([NH:26][c:27]4[cH:28][c:29]([NH2:35])[c:30]([NH:33][CH3:34])[cH:31][cH:32]4)[c:21](=[O:25])[n:22]([CH3:24])[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:39][cH:40]1