Hydrochloric Acid → 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

HRID 318348Notes

Reaction equation

HRID 318348 reaction equation
[BH4-:1].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:3][S:4](=[O:5])(=[O:6])[OH:7].[CH:42]([OH:43])([CH3:44])[CH3:45].[ClH:36].[Na+:2].[Na+:41].[O-:37][C:38]([OH:39])=[O:40].[O:8]=[C:9]([CH:10]=[C:11]([CH2:12][c:13]1[c:14]([F:21])[cH:15][c:16]([F:20])[c:17]([F:19])[cH:18]1)[NH2:22])[N:23]1[CH2:24][c:25]2[n:26]([c:29]([C:32]([F:33])([F:34])[F:35])[n:30][n:31]2)[CH2:27][CH2:28]1>>[O:8]=[C:9]([CH2:10][CH:11]([CH2:12][c:13]1[c:14]([F:21])[cH:15][c:16]([F:20])[c:17]([F:19])[cH:18]1)[NH2:22])[N:23]1[CH2:24][c:25]2[n:26]([c:29]([C:32]([F:33])([F:34])[F:35])[n:30][n:31]2)[CH2:27][CH2:28]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 534002733-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one

Product 1

HCID 113066913-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

Sources & evidence

ORD record
ord-3666003bd141417bbb27a0a2ce2db3e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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