Acetic Acid → N-(3-tert-butylphenyl)-6-[4-[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]piperazin-1-yl]pyridine-3-carboxamide

HRID 154497Notes

Reaction equation

HRID 154497 reaction equation
[C:12]([c:13]1[cH:14][c:15]([NH:16][C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([N:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[n:29][cH:30]2)[cH:31][cH:32][cH:33]1)([CH3:34])([CH3:35])[CH3:36].[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:37][O:38][C:39]([CH:40]1[CH2:41][CH2:42][CH:44]([C:47](=[O:48])[N:49]2[CH2:50][CH2:51][N:52]([c:55]3[n:56][cH:57][c:58]([C:61]([NH:62][c:63]4[cH:64][c:65]([C:69]([CH3:70])([CH3:71])[CH3:72])[cH:66][cH:67][cH:68]4)=[O:73])[cH:59][cH:60]3)[CH2:53][CH2:54]2)[CH2:43][CH2:45]1)=[O:46].[CH3:74][OH:75].[Cl:81][CH2:82][Cl:83].[O:5]=[C:6]1[S:7][CH2:8][C:9](=[O:11])[NH:10]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80]>>[O:5]=[C:6]1[S:7][CH:8]([CH2:44][C:47](=[O:48])[N:49]2[CH2:50][CH2:51][N:52]([c:55]3[n:56][cH:57][c:58]([C:61]([NH:62][c:63]4[cH:64][c:65]([C:69]([CH3:70])([CH3:71])[CH3:72])[cH:66][cH:67][cH:68]4)=[O:73])[cH:59][cH:60]3)[CH2:53][CH2:54]2)[C:9](=[O:11])[NH:10]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 5437ThiazolidinedioneHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 593180854-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazine-1-carbonyl}-cyclohexanecarboxylic acid methyl esterHCID 59318114N-(3-tert-Butyl-phenyl)-6-piperazin-1-yl-nicotinamide

Product 1

HCID 59318140N-(3-tert-butylphenyl)-6-[4-[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]piperazin-1-yl]pyridine-3-carboxamide

Sources & evidence

ORD record
ord-1b03f792ca084b53a29fb7e5fffbcd0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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