Acetic Acid → 4-{3-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylcarbamoyl]-5-methoxy-phenoxy}-butyric acid methyl ester

HRID 673510Notes

Reaction equation

HRID 673510 reaction equation
[C:26]([O:27][C:28]([N:29]1[CH2:30][CH2:31][CH:32]([NH:33][C:34](=[O:35])[c:36]2[cH:37][c:38]([O:39][CH2:40][CH2:41][CH2:42][C:43]([O:44][CH3:45])=[O:46])[cH:47][c:48]([O:49][CH3:50])[cH:51]2)[CH2:52][CH2:53]1)=[O:54])([CH3:55])([CH3:56])[CH3:57].[C:73]([BH3-:74])#[N:75].[CH2:58]([CH3:59])[O:60][c:61]1[cH:62][c:63]([CH:64]=[O:65])[cH:66][c:67]([O:70][CH2:71][CH3:72])[c:68]1[F:69].[CH2:77]([N:78]([CH:79]([CH3:80])[CH3:81])[CH:82]([CH3:83])[CH3:84])[CH3:85].[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][c:10]([O:23][CH3:24])[cH:11][c:12]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)=[O:22])[cH:13]1)=[O:25].[CH3:86][CH2:87][OH:88].[CH3:89][C:90](=[O:91])[OH:92].[Na+:76]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][c:10]([O:23][CH3:24])[cH:11][c:12]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:64][c:63]3[cH:62][c:61]([O:60][CH2:58][CH3:59])[c:68]([F:69])[c:67]([O:70][CH2:71][CH3:72])[cH:66]3)[CH2:20][CH2:21]2)=[O:22])[cH:13]1)=[O:25]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 498716Cyano-borohydrideHCID 591282733,5-Diethoxy-4-fluoro-benzaldehydeHCID 684579394-[3-Methoxy-5-(piperidin-4-ylcarbamoyl)-phenoxy]-butyric acid methyl esterHCID 684598954-[3-Methoxy-5-(3-methoxycarbonyl-propoxy)-benzoylamino]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 684586104-{3-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylcarbamoyl]-5-methoxy-phenoxy}-butyric acid methyl ester

Sources & evidence

ORD record
ord-2bbf6b4cc4944e27b051f42b21a01d49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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