HRID1552144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID14801

Manganese oxide (Mn2O4)

MnO2

HCID81531

Diisopropylethylamine

C8H19N

HCID166653

Hydride

H-

HCID498716

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(NC(=O)c3cc(CO)cc(OC)c3)CC2)cc(OCC)c1Cl

HCID68456379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8a115d4560f420e8e345e6d83174a8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:77]([BH3-:78])#[N:79].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]3[cH:17][c:18]([CH2:24][OH:25])[cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:26])[CH2:12][CH2:13]2)[cH:27][c:28]([O:31][CH2:32][CH3:33])[c:29]1[F:30].[CH2:49]([O:50][C:51](=[O:52])[c:53]1[cH:54][c:55]([O:56][CH2:57][CH3:58])[c:59]([Cl:60])[c:61]([O:62][CH2:63][CH3:64])[cH:65]1)[CH3:66].[CH2:68]([Al+:69][CH2:70][CH:71]([CH3:72])[CH3:73])[CH:74]([CH3:75])[CH3:76].[CH2:81]([N:82]([CH:83]([CH3:84])[CH3:85])[CH:86]([CH3:87])[CH3:88])[CH3:89].[CH3:90][CH2:91][OH:92].[CH3:96][C:97](=[O:98])[OH:99].[Cl:34][c:35]1[c:36]([O:37][CH2:38][CH3:39])[cH:40][c:41]([CH:42]=[O:43])[cH:44][c:45]1[O:46][CH2:47][CH3:48].[H-:67].[Na+:80].[O:93]=[Mn:94]=[O:95]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]3[cH:17][c:18]([CH2:24][OH:25])[cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:26])[CH2:12][CH2:13]2)[cH:27][c:28]([O:31][CH2:32][CH3:33])[c:29]1[Cl:34]