HRID1127819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

结构：CS(=O)(=O)c1ccc(C(=O)c2ccc(Br)cc2)cc1

HCID21262853

(4-Bromophenyl)[4-(methylsulfonyl)phenyl]methanone

C14H11BrO3S

结构：COC(=O)C(CC(C)C)N=C(c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1

HCID87345418

未命名化合物

PRODUCTS

生成物

HCID77262022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33614480ce0a4428a33a030754918947
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH4-:48].[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[N:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[O:17][CH3:18])[c:19]2[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[cH:6][cH:7]1.[Br:29][c:30]1[cH:31][cH:32][c:33]([C:34]([c:35]2[cH:36][cH:37][c:38]([S:39]([CH3:40])(=[O:41])=[O:42])[cH:43][cH:44]2)=[O:45])[cH:46][cH:47]1.[C:52]([OH:53])(=[O:54])[CH3:55].[CH3:50][OH:51].[Na+:49]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[O:17][CH3:18])[c:19]2[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[cH:6][cH:7]1