HRID86365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)c(C(O)C(=O)c2ccc(-c3ccccn3)cc2)n1

HCID68668285

未命名化合物

HCID178477777

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)c(C(O)C(C)(O)c2ccc(-c3ccccn3)cc2)n1

HCID68667572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93935bcbae8a4a5887c32449e82bc9c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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