HRID156720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6479

1,3-Dibromo-5,5-dimethylhydantoin

C5H6Br2N2O2

HCID7060

2-Methylquinoline

C10H9N

HCID7773

Peroxide, bis(1-oxododecyl)

C24H46O4

HCID8058

n-Hexane

C6H14

HCID31272

Butyl acetate

C6H12O2

结构：CC(=O)OC1CC2=CCC3C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC3C2(C)C(OC(C)=O)C1

HCID178475174

未命名化合物

PRODUCTS

生成物

HCID178475173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-881d367d4547475ea52150f5e66a722a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][N:2]1[C:3]([CH3:4])([CH3:5])[C:6](=[O:7])[N:8]([Br:9])[C:10]1=[O:11].[C:12](=[O:13])([OH:14])[O-:15].[C:17]([O:18][O:19][C:20](=[O:21])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])(=[O:33])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[C:45]([CH3:46])(=[O:47])[O:48][CH:49]1[CH2:50][CH:51]([O:77][C:78]([CH3:79])=[O:80])[CH2:52][C:53]2=[CH:54][CH2:55][CH:56]3[CH:57]4[CH2:58][CH2:59][CH:60]([CH:61]([CH:62]=[CH:63][CH:64]([CH:65]([CH3:66])[CH3:67])[CH3:68])[CH3:69])[C:70]4([CH3:76])[CH2:71][CH2:72][CH:73]3[C:74]12[CH3:75].[CH3:92][CH2:93][CH2:94][CH2:95][CH2:96][CH3:97].[CH3:98][CH2:99][CH2:100][CH2:101][O:102][C:103](=[O:104])[CH3:105].[Na+:16].[n:81]1[c:82]2[c:83]([cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][c:90]1[CH3:91]>>[C:45]([CH3:46])(=[O:47])[O:48][CH:49]1[CH2:50][CH:51]([O:77][C:78]([CH3:79])=[O:80])[CH2:52][C:53]2=[CH:54][CH:55]=[C:56]3[CH:57]4[CH2:58][CH2:59][CH:60]([CH:61]([CH:62]=[CH:63][CH:64]([CH:65]([CH3:66])[CH3:67])[CH3:68])[CH3:69])[C:70]4([CH3:76])[CH2:71][CH2:72][CH:73]3[C:74]12[CH3:75]