HRID202958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12493035

未命名化合物

结构：CC(c1ccc(Br)cc1)N1CCC(CC(C)(C)O)(c2ccc(F)cc2)OC1=O

HCID72344307

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(C)N3CCC(CC(C)(C)O)(c4ccc(F)cc4)OC3=O)cc2)cc(C)[n+]1[O-]

HCID178422663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c71ed16cad5465c8357b889590521d5
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

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