Hydrochloric Acid → 1-(2-(Aminomethyl)phenyl)-5-furyl-3-trifluoromethylpyrazole

HRID 2142971Notes

Reaction equation

HRID 2142971 reaction equation
[BH4-:50].[C:1]([NH:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1-[n:10]1[c:11]([C:12]([OH:13])=[O:14])[cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[n:21]1)([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27].[C:28](#[N:29])[c:30]1[c:31](-[n:36]2[n:37][c:38]([C:46]([F:47])([F:48])[F:49])[cH:39][c:40]2-[c:41]2[o:42][cH:43][cH:44][cH:45]2)[cH:32][cH:33][cH:34][cH:35]1.[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[ClH:52].[Na+:51].[Na+:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH-:53]>>[CH2:28]([NH2:29])[c:30]1[c:31](-[n:36]2[n:37][c:38]([C:46]([F:47])([F:48])[F:49])[cH:39][c:40]2-[c:41]2[o:42][cH:43][cH:44][cH:45]2)[cH:32][cH:33][cH:34][cH:35]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 111766071-(2-(N-Boc-aminomethyl)phenyl)-3-trifluoromethylpyrazol-5-yl-carboxylic acidHCID 185497871-(2-Cyanophenyl)-5-furyl-3-trifluoromethylpyrazole

Product 1

HCID 185497841-(2-(Aminomethyl)phenyl)-5-furyl-3-trifluoromethylpyrazole

Sources & evidence

ORD record
ord-5e874f8c6ea54222a209ba4a0149bc9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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