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

HRID 197289Notes

Reaction equation

HRID 197289 reaction equation
[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]

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 184502-Chloro-4,6-dimethoxy-1,3,5-triazineHCID 81531DiisopropylethylamineHCID 498716Cyano-borohydrideHCID 12682914-Amino-1-Boc-piperidineHCID 110201363-Methoxy-5-(methoxycarbonyl)benzoic acidHCID 591282733,5-Diethoxy-4-fluoro-benzaldehydeHCID 68456989HCID 68456989, compound

Product 1

HCID 68458070N-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-yl]-5-methoxy-isophthalamic acid methyl ester

Sources & evidence

ORD record
ord-a7285a8309e7495fb284dde4962e4898
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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