Ethyl Acetate → N-[3-carbamoyl-5-ethyl-1-(2-Pyridylmethyl)-1H-pyrazol-4-yl]-2-ethoxy-5-(4-ethyl-1-piperazinylsulfonyl)nicotinamide

HRID 282873Notes

Reaction equation

HRID 282873 reaction equation
[C:24]([c:25]1[nH:26][cH:27][cH:28][n:29]1)([c:30]1[nH:31][cH:32][cH:33][n:34]1)=[O:35].[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([S:13](=[O:14])(=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH3:23])[CH2:20][CH2:21]2)[cH:11][n:12]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[NH2:41][c:42]1[c:43]([C:56](=[O:57])[NH2:58])[n:44][n:45]([CH2:49][c:50]2[n:51][cH:52][cH:53][cH:54][cH:55]2)[c:46]1[CH2:47][CH3:48].[cH:36]1[n:37][cH:38][n-:39][cH:40]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[NH:41][c:42]2[c:43]([C:56](=[O:57])[NH2:58])[n:44][n:45]([CH2:49][c:50]3[n:51][cH:52][cH:53][cH:54][cH:55]3)[c:46]2[CH2:47][CH3:48])[cH:9][c:10]([S:13](=[O:14])(=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH3:23])[CH2:20][CH2:21]2)[cH:11][n:12]1

Participants

6

Reactant 5

HCID 8857Ethyl AcetateHCID 3386966ImidazolateHCID 46689282-Ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acidHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 220522374-amino-5-ethyl-1-(2-pyridylmethyl)-1H-pyrazole-3-carboxamide

Product 1

HCID 12114162N-[3-carbamoyl-5-ethyl-1-(2-Pyridylmethyl)-1H-pyrazol-4-yl]-2-ethoxy-5-(4-ethyl-1-piperazinylsulfonyl)nicotinamide

Sources & evidence

ORD record
ord-223c23a466c5487298385852e3896e8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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