HRID1217476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID561611

2-Nitrostyrene

C8H7NO2

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C=NO)cs2)CC1

HCID86657567

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4[N+](=O)[O-])C3)cs2)CC1

HCID67244232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3b5889ad09a4cca9417f12b8cbfd496
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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