Acetic Acid → N-[1-(4-Chloro-3,5-diethoxy-benzyl)-piperidin-4-yl]-3-hydroxy-5-methoxy-benzamide

HRID 314926Notes

Reaction equation

HRID 314926 reaction equation
[C:84]([BH3-:85])#[N:86].[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]([OH:24])[cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:25])[CH2:12][CH2:13]2)[cH:26][c:27]([O:30][CH2:31][CH3:32])[c:28]1[F:29].[CH2:33]([O:34][C:35](=[O:36])[c:37]1[cH:38][c:39]([O:40][CH2:41][CH3:42])[c:43]([Cl:46])[c:44]([O:45][CH2:47][CH3:48])[cH:49]1)[CH3:50].[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].[CH3:97][CH2:98][OH:99].[Cl:51][c:52]1[c:53]([O:54][CH2:55][CH3:56])[cH:57][c:58]([CH2:59][N:60]2[CH2:61][CH2:62][CH:63]([NH:64][C:65](=[O:66])[c:67]3[cH:68][c:69]([O:70][CH3:71])[cH:72][c:73]([CH2:74][OH:75])[cH:76]3)[CH2:77][CH2:78]2)[cH:79][c:80]1[O:81][CH2:82][CH3:83].[Na+:87]>>[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]([OH:24])[cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:25])[CH2:12][CH2:13]2)[cH:26][c:27]([O:30][CH2:31][CH3:32])[c:28]1[Cl:46]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 498716Cyano-borohydrideHCID 596847734-Chloro-3,5-diethoxybenzoic acid ethyl esterHCID 68455428N-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-yl]-3-hydroxy-5-methoxy-benzamideHCID 68456379N-[1-(4-Chloro-3,5-diethoxy-benzyl)-piperidin-4-yl]-3-hydroxymethyl-5-methoxy-benzamide

Product 1

HCID 68456085N-[1-(4-Chloro-3,5-diethoxy-benzyl)-piperidin-4-yl]-3-hydroxy-5-methoxy-benzamide

Sources & evidence

ORD record
ord-6394892054f34f32a4384c8f886ad165
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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