Trifluoroacetic acid → N-(3-Iodo-4-methyl-phenyl)-6-piperazin-1-yl-nicotinamide

HRID 1142134Notes

Reaction equation

HRID 1142134 reaction equation
[C:38]([c:39]1[cH:40][cH:41][c:42]([NH:43][C:44](=[O:45])[c:46]2[cH:47][cH:48][c:49]([N:50]3[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]3)[n:56][cH:57]2)[cH:58][cH:59]1)([CH3:60])([CH3:61])[CH3:62].[C:8]([O:9][C:10](=[O:11])[N:15]1[CH2:16][CH2:17][N:18]([c:21]2[n:22][cH:23][c:24]([C:27]([NH:28][c:29]3[cH:30][c:31]([I:36])[c:32]([CH3:35])[cH:33][cH:34]3)=[O:37])[cH:25][cH:26]2)[CH2:19][CH2:20]1)([CH3:12])([CH3:13])[CH3:14].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[NH:15]1[CH2:16][CH2:17][N:18]([c:21]2[n:22][cH:23][c:24]([C:27]([NH:28][c:29]3[cH:30][c:31]([I:36])[c:32]([CH3:35])[cH:33][cH:34]3)=[O:37])[cH:25][cH:26]2)[CH2:19][CH2:20]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 59318019N-(4-tert-Butyl-phenyl)-6-piperazin-1-yl-nicotinamideHCID 593181844-[5-(3-Iodo-4-methyl-phenylcarbamoyl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 59318071N-(3-Iodo-4-methyl-phenyl)-6-piperazin-1-yl-nicotinamide

Sources & evidence

ORD record
ord-a60ade257f934d079fccfd404bb8196e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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