Ethanol, trifluoro- → 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 687609Notes

Reaction equation

HRID 687609 reaction equation
[F:1][CH2:2][C:3]([F:4])([F:5])[OH:6].[O:7]=[C:8]([CH:9]=[C:10]([CH2:11][c:12]1[c:13]([F:20])[cH:14][c:15]([F:19])[c:16]([F:18])[cH:17]1)[NH2:21])[N:22]1[CH2:23][c:24]2[n:25]([c:28]([C:31]([F:32])([F:33])[F:34])[n:29][n:30]2)[CH2:26][CH2:27]1>>[O:7]=[C:8]([CH2:9][CH:10]([CH2:11][c:12]1[c:13]([F:20])[cH:14][c:15]([F:19])[c:16]([F:18])[cH:17]1)[NH2:21])[N:22]1[CH2:23][c:24]2[n:25]([c:28]([C:31]([F:32])([F:33])[F:34])[n:29][n:30]2)[CH2:26][CH2:27]1

Participants

3

Reactant 2

HCID 185647Ethanol, trifluoro-HCID 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-77b177ec046848d48f604cbcf06fbbfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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