Acetic Acid → 2-{4-[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylcarbamoyl]-phenyl}-2-methyl-propionic acid methyl ester

HRID 298562Notes

Reaction equation

HRID 298562 reaction equation
[C:23]([O:24][C:25]([N:26]1[CH2:27][CH2:28][CH:29]([NH:30][C:31](=[O:32])[c:33]2[cH:34][cH:35][c:36]([C:37]([C:38]([O:39][CH3:40])=[O:41])([CH3:42])[CH3:43])[cH:44][cH:45]2)[CH2:46][CH2:47]1)=[O:48])([CH3:49])([CH3:50])[CH3:51].[C:72]([BH3-:73])#[N:74].[CH2:59]([CH3:60])[O:61][c:62]1[cH:63][c:64]([CH:65]=[O:66])[cH:67][cH:68][c:69]1[O:70][CH3:71].[CH2:76]([N:77]([CH:78]([CH3:79])[CH3:80])[CH:81]([CH3:82])[CH3:83])[CH3:84].[CH3:1][O:2][C:3]([C:4]([CH3:5])([c:6]1[cH:7][cH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)=[O:20])[cH:10][cH:11]1)[CH3:21])=[O:22].[CH3:88][CH2:89][OH:90].[CH3:91][C:92](=[O:93])[OH:94].[Cl:85][CH2:86][Cl:87].[F:52][C:53]([F:54])([F:55])[C:56]([OH:57])=[O:58].[Na+:75]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([c:6]1[cH:7][cH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:65][c:64]3[cH:63][c:62]([O:61][CH2:59][CH3:60])[c:69]([O:70][CH3:71])[cH:68][cH:67]3)[CH2:18][CH2:19]2)=[O:20])[cH:10][cH:11]1)[CH3:21])=[O:22]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 2447283-Ethoxy-4-methoxybenzaldehydeHCID 498716Cyano-borohydrideHCID 684547664-[4-(1-Methoxycarbonyl-1-methyl-ethyl)-benzoylamino]-piperidine-1-carboxylic acid tert-butyl esterHCID 684593812-Methyl-2-[4-(piperidin-4-ylcarbamoyl)-phenyl]-propionic acid methyl ester

Product 1

HCID 684569872-{4-[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylcarbamoyl]-phenyl}-2-methyl-propionic acid methyl ester

Sources & evidence

ORD record
ord-4814880adaa644ff93fffce954cc1d55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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