Acetic Acid → 4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-ylethynyl)-1-(2,4,6-trifluoro-benzyl)-piperidin-4-ol

HRID 97349

Reaction equation

HRID 97349 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:50][C:51](=[O:52])[OH:53].[Cl:54][CH2:55][Cl:56].[F:25][c:26]1[c:27]([CH:28]=[O:29])[c:30]([F:35])[cH:31][c:32]([F:34])[cH:33]1.[NH2:1][c:2]1[c:3]2[n:4]([cH:5][c:6]([C:8]#[C:9][C:10]3([OH:16])[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]3)[n:7]1)[n:17][c:18](-[c:20]1[o:21][cH:22][cH:23][cH:24]1)[n:19]2.[Na+:49]>>[NH2:1][c:2]1[c:3]2[n:4]([cH:5][c:6]([C:8]#[C:9][C:10]3([OH:16])[CH2:11][CH2:12][N:13]([CH2:28][c:27]4[c:26]([F:25])[cH:33][c:32]([F:34])[cH:31][c:30]4[F:35])[CH2:14][CH2:15]3)[n:7]1)[n:17][c:18](-[c:20]1[o:21][cH:22][cH:23][cH:24]1)[n:19]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 5218452,4,6-TrifluorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 685422064-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-ylethynyl)-piperidin-4-ol

Product 1

HCID 685441444-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-ylethynyl)-1-(2,4,6-trifluoro-benzyl)-piperidin-4-ol

Sources & evidence

ORD record
ord-473b849fe1634912a14f7222fe3fd841
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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