HRID308096

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12493035

未命名化合物

结构：CCC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID178438845

未命名化合物

PRODUCTS

生成物

结构：CCC(c1ccc(-c2cc(C)[n+]([O-])c(C)c2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID178438890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-429e23240df249d5a6eae1899a215805
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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