HRID213962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)CNCC(C)(C)n1cnc([N+](=O)[O-])c1

HCID67164086

未命名化合物

结构：O=C(Cc1cc(F)cc(F)c1)NC(C(=O)O)c1ccccc1

HCID77503100

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CNCC(C)(C)n1cnc(NC(=O)C(NC(=O)Cc2cc(F)cc(F)c2)c2ccccc2)c1

HCID68461723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e29f8eb92044975aaf4c673545584ec
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][C:2]([CH2:3][NH:4][CH2:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[n:11]1[cH:12][n:13][c:14]([N+:16]([O-:17])=[O:18])[cH:15]1.[F:19][c:20]1[cH:21][c:22]([CH2:27][C:28](=[O:29])[NH:30][CH:31]([C:32](=[O:33])[OH:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:23][c:24]([F:26])[cH:25]1>>[CH3:1][C:2]([CH2:3][NH:4][CH2:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[n:11]1[cH:12][n:13][c:14]([NH:16][C:32]([CH:31]([NH:30][C:28]([CH2:27][c:22]2[cH:21][c:20]([F:19])[cH:25][c:24]([F:26])[cH:23]2)=[O:29])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:33])[cH:15]1