HRID1201406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COCN(c1onc(C)c1C)S(=O)(=O)c1ccsc1C(=O)Nc1c(C)cc(C)c(CC#N)c1C

HCID54326638

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1CC#N

HCID10623757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3fb1dd8cd97473bb5899da9ea2be9fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](#[N:2])[CH2:3][c:4]1[c:5]([CH3:34])[c:6]([NH:12][C:13](=[O:14])[c:15]2[s:16][cH:17][cH:18][c:19]2[S:20](=[O:21])(=[O:22])[N:23]([CH2:24][O:25][CH3:26])[c:27]2[c:28]([CH3:33])[c:29]([CH3:32])[n:30][o:31]2)[c:7]([CH3:11])[cH:8][c:9]1[CH3:10].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[ClH:35].[OH2:36]>>[C:1](#[N:2])[CH2:3][c:4]1[c:5]([CH3:34])[c:6]([NH:12][C:13](=[O:14])[c:15]2[s:16][cH:17][cH:18][c:19]2[S:20](=[O:21])(=[O:22])[NH:23][c:27]2[c:28]([CH3:33])[c:29]([CH3:32])[n:30][o:31]2)[c:7]([CH3:11])[cH:8][c:9]1[CH3:10]