HRID312478

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

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

HCID86657567

未命名化合物

HCID86657571

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C3=NOC(c4c(F)cccc4C=O)C3)cs2)CC1

HCID86657572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-348020aaeeea40bc951bf6535acaf07f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[OH:44].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:22][N:23]1[C:24](=[O:25])[CH2:26][CH2:27][C:28]1=[O:29].[F:30][c:31]1[c:32]([CH:39]=[CH2:40])[c:33]([CH:34]=[O:35])[cH:36][cH:37][cH:38]1.[K+:45].[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)[CH2:40][CH:39]1[c:32]1[c:31]([F:30])[cH:38][cH:37][cH:36][c:33]1[CH:34]=[O:35]