HRID184834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12091

4-Nitrobenzamide

C7H6N2O3

HCID166653

Hydride

H-

HCID9903464

未命名化合物

HCID14986486

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Oc2ccsc2C(NC(=O)c2ccc([N+](=O)[O-])cc2)C1O

HCID14986490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52695b9667b24a6ca9a499f4b8c86d25
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-:46].[Br:1][CH:2]1[C:3]([CH3:4])([CH3:5])[O:6][c:7]2[cH:8][cH:9][s:10][c:11]2[CH:12]1[OH:13].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[H-:26].[K+:47].[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[NH2:23])[cH:24][cH:25]1.[Na+:27].[OH2:53].[OH:28][CH:29]1[CH:30]([N:40]2[CH2:41][CH2:42][CH2:43][C:44]2=[O:45])[c:31]2[c:32]([cH:37][cH:38][s:39]2)[O:33][C:34]1([CH3:35])[CH3:36]>>[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[NH:23][CH:30]2[CH:29]([OH:28])[C:34]([CH3:35])([CH3:36])[O:33][c:32]3[c:31]2[s:39][cH:38][cH:37]3)[cH:24][cH:25]1