HRID2156772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID25989

Acetamide, N-(trimethylsilyl)-

C5H13NOSi

HCID155613

2-(3-Chlorophenyl)oxirane

C8H7ClO

HCID13897642

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Cc1ccc([N+](=O)[O-])cc1)NCC(O)c1cccc(Cl)c1

HCID22326552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6e33b66c42f489e8c480edbd1e47340
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:15][Si:16]([CH3:17])([CH3:18])[NH:19][C:20](=[O:21])[CH3:22].[CH3:40][S:41]([CH3:42])=[O:43].[CH3:44][OH:45].[Cl:23][c:24]1[cH:25][c:26]([CH:27]2[CH2:28][O:29]2)[cH:30][cH:31][cH:32]1.[ClH:33].[NH2:1][C:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1)([CH3:13])[CH3:14].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39]>>[NH:1]([C:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1)([CH3:13])[CH3:14])[CH2:28][CH:27]([c:26]1[cH:25][c:24]([Cl:23])[cH:32][cH:31][cH:30]1)[OH:29]