HRID2151430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID5360545

Sodium

结构：CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

HCID10342097

未命名化合物

HCID57374278

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC#N)cc1

HCID15236319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a8dc684826946889e1c310c393b2d74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:44]([OH:45])(=[O:46])[CH3:47].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][c:2]1[cH:3][c:4]([CH3:30])[c:5]2[c:6]([n:7]1)[n:8]([CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]3[c:21]([S:26](=[O:27])(=[O:28])[NH2:29])[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]1)[c:9]([CH2:11][CH3:12])[n:10]2.[CH3:31][Si:32]1([CH3:33])[C:36]([CH3:37])=[C:38]([CH3:39])[C:35]([CH3:40])=[N:34][SiH:41]1[CH3:42].[Na:43]>>[CH3:1][c:2]1[cH:3][c:4]([CH3:30])[c:5]2[c:6]([n:7]1)[n:8]([CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]3[c:21]([S:26](=[O:27])(=[O:28])[NH:29][C:35]#[N:34])[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]1)[c:9]([CH2:11][CH3:12])[n:10]2