Acetic Acid → 6-[4-(5-chloro-1-methyl-3-trifluoromethyl-1H-pyrazol-4-ylmethyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine

HRID 1149033Notes

Reaction equation

HRID 1149033 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:53]([O:54][C:55]([N:56]1[CH2:57][CH2:58][N:59]([c:60]2[n:61][c:62]3[c:63]([n:64][cH:65]2)[n:66][cH:67][n:68]([CH3:69])[c:70]3=[O:71])[CH2:72][CH2:73]1)=[O:74])([CH3:75])([CH3:76])[CH3:77].[CH3:49][C:50](=[O:51])[OH:52].[Cl:22][c:23]1[c:24]([CH:33]=[O:34])[c:25]([C:29]([F:30])([F:31])[F:32])[n:26][n:27]1[CH3:28].[Na+:48].[o:1]1[c:2](-[c:6]2[n:7][n:8]3[c:9]([c:10]([NH2:20])[n:11][c:12]([N:14]4[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]4)[cH:13]3)[n:21]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[n:7][n:8]3[c:9]([c:10]([NH2:20])[n:11][c:12]([N:14]4[CH2:15][CH2:16][N:17]([CH2:33][c:24]5[c:23]([Cl:22])[n:27]([CH3:28])[n:26][c:25]5[C:29]([F:30])([F:31])[F:32])[CH2:18][CH2:19]4)[cH:13]3)[n:21]2)[cH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 14784595-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 111619332-Furan-2-yl-6-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamineHCID 66745135Tert-butyl 4-(3-methyl-4-oxo-3,4-dihydropteridin-6-yl)piperazine-1-carboxylate

Product 1

HCID 114090446-[4-(5-chloro-1-methyl-3-trifluoromethyl-1H-pyrazol-4-ylmethyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine

Sources & evidence

ORD record
ord-c267802f4a48496bbcf7b6b8eb60eb60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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