HRID702839

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)(c2ccccc2)OC1=O

HCID66869825

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(C)N3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc(C)[n+]1[O-]

HCID178422661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dccb9fec3d264e8d93fb91ab7a53854f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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