HRID182344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(NC(=O)OC(C)(C)C)cnc32)cc1

HCID58009783

未命名化合物

结构：CC1CC(N(Cc2ccccc2)Cc2ccccc2)CC1C(=O)CBr

HCID58557145

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(N(CC(=O)C4CC(N(Cc5ccccc5)Cc5ccccc5)CC4C)C(=O)OC(C)(C)C)cnc32)cc1

HCID58557498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d290fc91becf4048973c609d46f0e8f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:30][CH2:31][C:32](=[O:33])[CH:34]1[CH:35]([CH3:54])[CH2:36][CH:37]([N:39]([CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH2:47][c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[CH2:38]1.[H-:29].[Na+:28].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[n:11]1[cH:12][cH:13][c:14]2[c:15]1[n:16][cH:17][c:18]([NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[n:19]2>>[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[n:11]1[cH:12][cH:13][c:14]2[c:15]1[n:16][cH:17][c:18]([N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:31][C:32](=[O:33])[CH:34]1[CH:35]([CH3:54])[CH2:36][CH:37]([N:39]([CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[CH2:38]1)[n:19]2