HRID163124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CBr

HCID53363643

未命名化合物

结构：CC1NC(=O)OC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59135245

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73022531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1a18dbc8a854fabb6f0658613544d99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:23][Si:24]([N-:25][Si:26]([CH3:27])([CH3:28])[CH3:29])([CH3:30])[CH3:31].[CH3:32][O:33][c:34]1[c:35](-[c:43]2[c:44]([CH2:53][Br:54])[cH:45][c:46]([C:49]([F:50])([F:51])[F:52])[cH:47][cH:48]2)[cH:36][c:37]([CH:40]([CH3:41])[CH3:42])[cH:38][cH:39]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:19])[NH:15][C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:20])[F:21].[Na+:22]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:19])[N:15]([CH2:53][c:44]3[c:43](-[c:35]4[c:34]([O:33][CH3:32])[cH:39][cH:38][c:37]([CH:40]([CH3:41])[CH3:42])[cH:36]4)[cH:48][cH:47][c:46]([C:49]([F:50])([F:51])[F:52])[cH:45]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:20])[F:21]