HRID90278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID5017140

4-phenylbenzenesulfonamide

C12H11NO2S

结构：CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)Oc2ccccc2)cc1

HCID11384441

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1

HCID21875619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0a292ba07484294a91d9f4d67d5cbf3
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

[CH2:19]([CH3:20])[c:21]1[n:22][c:23]2[c:24]([n:25][c:26]([CH3:30])[cH:27][c:28]2[CH3:29])[n:31]1-[c:32]1[cH:33][cH:34][c:35]([CH2:38][CH2:39][NH:40][C:41]([O:42][c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)=[O:43])[cH:36][cH:37]1.[H-:18].[Na+:17].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:50].[c:1]1(-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[NH2:10])[cH:5][cH:6]1>>[c:1]1(-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[NH:10][C:41]([NH:40][CH2:39][CH2:38][c:35]2[cH:34][cH:33][c:32](-[n:31]3[c:21]([CH2:19][CH3:20])[n:22][c:23]4[c:24]3[n:25][c:26]([CH3:30])[cH:27][c:28]4[CH3:29])[cH:37][cH:36]2)=[O:42])[cH:5][cH:6]1