HRID696540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID2784734

5-Bromonicotinaldehyde

C6H4BrNO

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

HCID16039067

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cncc(C=O)c3)cc12

HCID59699835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4546d7a7bd24dd69ff7b5898b3744f2
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:37][c:38]1[cH:39][c:40]([CH:44]=[O:45])[cH:41][n:42][cH:43]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:51][C:52]#[N:53].[Na+:50].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15](-[c:38]4[cH:39][c:40]([CH:44]=[O:45])[cH:41][n:42][cH:43]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1