Acetonitrile → 1-{6-[4-(2,6-difluoro-benzoyl)-piperazin-1-yl]-5-methyl-pyridin-3-yl}-3-[5-(2-fluoro-1,1-dimethyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea

HRID 1205299Notes

Reaction equation

HRID 1205299 reaction equation
[CH3:60][C:61]#[N:62].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:34][C:35]([Cl:36])([Cl:57])[CH2:58][O:37][C:38]([NH:39][c:40]1[n:41](-[c:50]2[cH:51][cH:52][c:53]([CH3:56])[cH:54][cH:55]2)[n:42][c:43]([C:45]([CH2:46][F:47])([CH3:48])[CH3:49])[cH:44]1)=[O:59].[NH2:10][c:11]1[cH:12][c:13]([CH3:33])[c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]3[F:31])[CH2:21][CH2:22]2)[n:15][cH:16]1>>[NH:10]([c:11]1[cH:12][c:13]([CH3:33])[c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]3[F:31])[CH2:21][CH2:22]2)[n:15][cH:16]1)[C:38](=[O:37])[NH:39][c:40]1[n:41](-[c:50]2[cH:51][cH:52][c:53]([CH3:56])[cH:54][cH:55]2)[n:42][c:43]([C:45]([CH2:46][F:47])([CH3:48])[CH3:49])[cH:44]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 68540113[4-(5-Amino-3-methyl-pyridin-2-yl)-piperazin-1-yl]-(2,6-difluoro-phenyl)-methanoneHCID 68540645[5-(2-fluoro-1,1-dimethyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-carbamic acid 2,2,2-trichloro-ethyl ester

Product 1

HCID 591344441-{6-[4-(2,6-difluoro-benzoyl)-piperazin-1-yl]-5-methyl-pyridin-3-yl}-3-[5-(2-fluoro-1,1-dimethyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea

Sources & evidence

ORD record
ord-077fce2f442c4d2aa64658df4de8c896
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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