HRID1119767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)O

HCID21112802

未命名化合物

反应SMILES：CC(c1ccc(C(F)(F)F)cc1)n1cnc([N+](=O)[O-])c1

HCID68463545

未命名化合物

PRODUCTS

产物

反应SMILES：CCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)c2ccc(C(F)(F)F)cc2)cn1

HCID178448777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3df163470ad1489e815e395f4efd5651
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

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