HRID197289

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+

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

HCID81531

Diisopropylethylamine

C8H19N

HCID498716

未命名化合物

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

HCID11020136

未命名化合物

HCID59128273

未命名化合物

HCID68456989

未命名化合物

PRODUCTS

产物

HCID68458070

N-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-yl]-5-methoxy-isophthalamic acid methyl ester

C26H33FN2O6

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a7285a8309e7495fb284dde4962e4898
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:37]([O:38][C:39]([N:40]1[CH2:41][CH2:42][CH:43]([NH2:44])[CH2:45][CH2:46]1)=[O:47])([CH3:48])([CH3:49])[CH3:50].[C:84]([BH3-:85])#[N:86].[CH2:69]([CH3:70])[O:71][c:72]1[cH:73][c:74]([CH:75]=[O:76])[cH:77][c:78]([O:81][CH2:82][CH3:83])[c:79]1[F:80].[CH2:88]([N:89]([CH:90]([CH3:91])[CH3:92])[CH:93]([CH3:94])[CH3:95])[CH3:96].[CH3:100][C:101](=[O:102])[OH:103].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:16][c:17]([O:19][CH3:20])[cH:18]1)=[O:21].[CH3:22][O:23][C:24](=[O:25])[c:26]1[cH:27][c:28]([O:29][CH3:30])[cH:31][c:32]([C:33]([OH:34])=[O:35])[cH:36]1.[CH3:97][CH2:98][OH:99].[Cl:51][c:52]1[n:53][c:54]([O:55][CH3:56])[n:57][c:58]([O:59][CH3:60])[n:61]1.[F:62][C:63]([F:64])([F:65])[C:66]([OH:67])=[O:68].[Na+:87]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:75][c:74]3[cH:73][c:72]([O:71][CH2:69][CH3:70])[c:79]([F:80])[c:78]([O:81][CH2:82][CH3:83])[cH:77]3)[CH2:14][CH2:15]2)[cH:16][c:17]([O:19][CH3:20])[cH:18]1)=[O:21]