HRID88427

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

HCID135442

2-Ethenylphenol

C8H8O

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(c4ccccc4O)C3)cs2)CC1

HCID66584968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3ca952bc0694d2fa312d0c904f8d5b3
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

[C:31](=[O:32])([O-:33])[OH:34].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH:22](=[CH2:23])[c:24]1[c:25]([OH:30])[cH:26][cH:27][cH:28][cH:29]1.[Cl:36][N:37]1[C:38](=[O:39])[CH2:40][CH2:41][C:42]1=[O:43].[K+:35].[OH2:50].[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)[CH2:23][CH:22]1[c:24]1[c:25]([OH:30])[cH:26][cH:27][cH:28][cH:29]1