2,4-Dioxo-5-thiazolidineacetic acid → 6-{4-[2-(2,4-Dioxo-thiazolidin-5-yl)-acetyl]-piperazin-1-yl}-N-(3-iodo-4-methyl-phenyl)-nicotinamide

HRID 155304Notes

Reaction equation

HRID 155304 reaction equation
[CH3:35][O:36][C:37]([CH:38]1[CH2:39][CH2:40][CH:41]([C:42]([N:43]2[CH2:44][CH2:45][N:46]([c:47]3[cH:48][cH:49][c:50]([C:51](=[O:52])[NH:53][c:54]4[cH:55][cH:56][cH:57][c:58]([C:59]([CH3:60])([CH3:61])[CH3:62])[cH:63]4)[cH:64][n:65]3)[CH2:66][CH2:67]2)=[O:68])[CH2:69][CH2:70]1)=[O:71].[I:1][c:2]1[cH:3][c:4]([NH:9][C:10]([c:11]2[cH:12][n:13][c:14]([N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)=[O:23])[cH:5][cH:6][c:7]1[CH3:8].[O:24]=[C:25]1[S:26][CH:27]([CH2:31][C:32](=[O:33])[OH:34])[C:28](=[O:30])[NH:29]1>>[I:1][c:2]1[cH:3][c:4]([NH:9][C:10]([c:11]2[cH:12][n:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([C:32]([CH2:31][CH:27]4[S:26][C:25](=[O:24])[NH:29][C:28]4=[O:30])=[O:33])[CH2:21][CH2:22]3)[cH:15][cH:16]2)=[O:23])[cH:5][cH:6][c:7]1[CH3:8]

Participants

4

Reactant 3

HCID 6450302,4-Dioxo-5-thiazolidineacetic acidHCID 59318071N-(3-Iodo-4-methyl-phenyl)-6-piperazin-1-yl-nicotinamideHCID 593180854-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazine-1-carbonyl}-cyclohexanecarboxylic acid methyl ester

Product 1

HCID 593181436-{4-[2-(2,4-Dioxo-thiazolidin-5-yl)-acetyl]-piperazin-1-yl}-N-(3-iodo-4-methyl-phenyl)-nicotinamide

Sources & evidence

ORD record
ord-22808d32b3204323bb0916254a8803d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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