Acetonitrile → N-(3-((3,5-Dichloro-N-((4'-fluorobiphenyl-4-yl)methyl)-2-hydroxyphenylsulfonamido) methyl)benzyl)-N-isobutyl-6-(piperidin-1-yl)nicotinamide

HRID 1126065Notes

Reaction equation

HRID 1126065 reaction equation
[CH3:65][CH2:66][N:67]=[C:68]=[N:69][CH2:70][CH2:71][CH2:72][N:73]([CH3:74])[CH3:75].[CH3:86][C:87]#[N:88].[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[c:3]([OH:40])[c:4]([S:9](=[O:10])(=[O:11])[N:12]([CH2:13][c:14]2[cH:15][c:16]([CH2:20][NH:21][CH2:22][CH:23]([CH3:24])[CH3:25])[cH:17][cH:18][cH:19]2)[CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:31][cH:32]2)[cH:5][c:6]([Cl:8])[cH:7]1.[N:50]1([c:56]2[n:57][cH:58][c:59]([C:60](=[O:61])[OH:62])[cH:63][cH:64]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[OH:76][n:77]1[c:78]2[c:79]([cH:80][cH:81][cH:82][cH:83]2)[n:84][n:85]1>>[Cl:1][c:2]1[c:3]([OH:40])[c:4]([S:9](=[O:10])(=[O:11])[N:12]([CH2:13][c:14]2[cH:15][c:16]([CH2:20][N:21]([CH2:22][CH:23]([CH3:24])[CH3:25])[C:60]([c:59]3[cH:58][n:57][c:56]([N:50]4[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]4)[cH:64][cH:63]3)=[O:62])[cH:17][cH:18][cH:19]2)[CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:31][cH:32]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27947616-(Piperidin-1-yl)pyridine-3-carboxylic acidHCID 585313773,5-Dichloro-N-((4'-fluorobiphenyl-4-yl)methyl)-2-hydroxy-N-(3-((isobutyl amino)methyl)benzyl)benzene sulfonamide

Product 1

HCID 58531424N-(3-((3,5-Dichloro-N-((4'-fluorobiphenyl-4-yl)methyl)-2-hydroxyphenylsulfonamido) methyl)benzyl)-N-isobutyl-6-(piperidin-1-yl)nicotinamide

Sources & evidence

ORD record
ord-f5103ee922354de1b5dbd450f392bea8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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