Cyclopropanecarboxylic acid → 6-(4-Cyclopropanecarbonyl-piperazin-1-yl)-N-(3-iodo-4-methyl-phenyl)-nicotinamide

HRID 1550905Notes

Reaction equation

HRID 1550905 reaction equation
[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:41][O:42][C:43]([CH:44]1[CH2:45][CH2:46][CH:47]([C:48]([N:49]2[CH2:50][CH2:51][N:52]([c:53]3[cH:54][cH:55][c:56]([C:57](=[O:58])[NH:59][c:60]4[cH:61][cH:62][cH:63][c:64]([C:65]([CH3:66])([CH3:67])[CH3:68])[cH:69]4)[cH:70][n:71]3)[CH2:72][CH2:73]2)=[O:74])[CH2:75][CH2:76]1)=[O:77].[I:12][c:13]1[cH:14][c:15]([NH:20][C:21]([c:22]2[cH:23][n:24][c:25]([N:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[cH:26][cH:27]2)=[O:34])[cH:16][cH:17][c:18]1[CH3:19].[OH:35][C:36](=[O:37])[CH:38]1[CH2:39][CH2:40]1>>[I:12][c:13]1[cH:14][c:15]([NH:20][C:21]([c:22]2[cH:23][n:24][c:25]([N:28]3[CH2:29][CH2:30][N:31]([C:36](=[O:35])[CH:38]4[CH2:39][CH2:40]4)[CH2:32][CH2:33]3)[cH:26][cH:27]2)=[O:34])[cH:16][cH:17][c:18]1[CH3:19]

Participants

5

Reactant 4

HCID 15655Cyclopropanecarboxylic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 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 593181196-(4-Cyclopropanecarbonyl-piperazin-1-yl)-N-(3-iodo-4-methyl-phenyl)-nicotinamide

Sources & evidence

ORD record
ord-4c5c3880c985444ca4c70ef7f34958c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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