HRID121517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID21611

N-3-Bromopropylphthalimide

C11H10BrNO2

HCID166653

Hydride

H-

HCID4154456

N-isopropyl-2-nitrobenzenesulfonamide

C9H12N2O4S

PRODUCTS

生成物

结构：CC(C)N(CCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID66880021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b9158164bb34ec284bfeb4dd6ef58e3
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:19][CH2:20][CH2:21][CH2:22][N:23]1[C:24](=[O:33])[c:25]2[c:26]([cH:29][cH:30][cH:31][cH:32]2)[C:27]1=[O:28].[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:1]([CH3:2])([CH3:3])[NH:4][S:5](=[O:6])(=[O:7])[c:8]1[c:9]([N+:14](=[O:15])[O-:16])[cH:10][cH:11][cH:12][cH:13]1.[H-:17].[Na+:18]>>[CH:1]([CH3:2])([CH3:3])[N:4]([S:5](=[O:6])(=[O:7])[c:8]1[c:9]([N+:14](=[O:15])[O-:16])[cH:10][cH:11][cH:12][cH:13]1)[CH2:20][CH2:21][CH2:22][N:23]1[C:24](=[O:33])[c:25]2[c:26]([cH:29][cH:30][cH:31][cH:32]2)[C:27]1=[O:28]