HRID113967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID7416

Nitrobenzene

C6H5NO2

HCID19660

Carbonate

CO3-2

结构：Nc1ccc(Sc2ccccc2)c2c1C(=O)c1ccccc1C2=O

HCID83523

9,10-Anthracenedione, 1-amino-4-(phenylthio)-

C20H13NO2S

HCID123546

4-Bromo-2-nitrotoluene

C7H6BrNO2

PRODUCTS

生成物

结构：Cc1ccc(Nc2ccc(Sc3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-]

HCID22759191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5cfe434c62c47d7bd36994f2e2ab51e
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:40][c:41]1[cH:42][c:43]([N+:48](=[O:49])[O-:50])[c:44]([CH3:47])[cH:45][cH:46]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:6]2[c:15]1[C:14](=[O:16])[c:13]1[c:8]([cH:9][cH:10][cH:11][cH:12]1)[C:7]2=[O:17].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[O-:31][N+:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([S:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:6]2[c:15]1[C:14](=[O:16])[c:13]1[c:8]([cH:9][cH:10][cH:11][cH:12]1)[C:7]2=[O:17])[c:41]1[cH:42][c:43]([N+:48](=[O:49])[O-:50])[c:44]([CH3:47])[cH:45][cH:46]1