HRID2350604

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(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CCCO)(c2ccc(F)cc2)OC1=O

HCID178435622

未命名化合物

PRODUCTS

生成物

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

HCID178422671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51ca214d4a314bc69bb96f2493b34989
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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