Acetic Acid → HCID 68455597, compound

HRID 671875Notes

Reaction equation

HRID 671875 reaction equation
[C:1](#[N:2])[CH2:3][O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][c:18]3[cH:19][c:20]([O:28][CH2:29][CH3:30])[c:21]([F:27])[c:22]([O:24][CH2:25][CH3:26])[cH:23]3)[CH2:15][CH2:16]2)[cH:31][c:32]([O:34][CH3:35])[cH:33]1.[C:87]([BH3-:88])#[N:89].[CH2:36]([O:37][C:38](=[O:39])[c:40]1[cH:41][c:42]([O:43][CH2:44][CH3:45])[c:46]([Cl:49])[c:47]([O:48][CH2:50][CH3:51])[cH:52]1)[CH3:53].[CH2:91]([N:92]([CH:93]([CH3:94])[CH3:95])[CH:96]([CH3:97])[CH3:98])[CH3:99].[CH3:100][CH2:101][OH:102].[CH3:103][C:104](=[O:105])[OH:106].[Cl:54][c:55]1[c:56]([O:57][CH2:58][CH3:59])[cH:60][c:61]([CH2:62][N:63]2[CH2:64][CH2:65][CH:66]([NH:67][C:68](=[O:69])[c:70]3[cH:71][c:72]([O:73][CH3:74])[cH:75][c:76]([CH2:77][OH:78])[cH:79]3)[CH2:80][CH2:81]2)[cH:82][c:83]1[O:84][CH2:85][CH3:86].[Na+:90]>>[C:1](#[N:2])[CH2:3][O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][c:18]3[cH:19][c:20]([O:28][CH2:29][CH3:30])[c:21]([Cl:49])[c:22]([O:24][CH2:25][CH3:26])[cH:23]3)[CH2:15][CH2:16]2)[cH:31][c:32]([O:34][CH3:35])[cH:33]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 498716Cyano-borohydrideHCID 596847734-Chloro-3,5-diethoxybenzoic acid ethyl esterHCID 68456379N-[1-(4-Chloro-3,5-diethoxy-benzyl)-piperidin-4-yl]-3-hydroxymethyl-5-methoxy-benzamideHCID 684569833-Cyanomethoxy-N-[1-(3,5-diethoxy-4-fluoro-benzyl)-piperidin-4-yl]-5-methoxy-benzamide

Product 1

HCID 68455597HCID 68455597, compound

Sources & evidence

ORD record
ord-766dc17a8d924b519e00dd09f56edea6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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