HRID1557474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID2724942

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2ccc(F)cc2F)CC1

HCID58993590

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2ccc(F)cc2F)CC1

HCID58993593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0236ebb5a22404dbd2de1030ff4b9ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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