Hydrochloric Acid → ethyl 3-{2-fluoro-4-[(4-{[3-(4-fluorophenyl)-5-(2-phenylethyl)-1H-pyrazol-1-yl]methyl}benzyl)oxy]phenyl}propanoate

HRID 180147Notes

Reaction equation

HRID 180147 reaction equation
[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][O:30][c:31]2[cH:32][c:33]([F:44])[c:34]([CH2:37][CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:35][cH:36]2)[cH:45][cH:46]1.[ClH:47].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][nH:10][c:11]([CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:12]2)[cH:6][cH:7]1.[H-:21].[Na+:22]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:24][c:25]3[cH:26][cH:27][c:28]([CH2:29][O:30][c:31]4[cH:32][c:33]([F:44])[c:34]([CH2:37][CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:35][cH:36]4)[cH:45][cH:46]3)[c:11]([CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 23143241Ethyl 3-(4-([4-(chloromethyl)benzyl]oxy}-2-fluorophenyl)propanoateHCID 231599063-(4-fluorophenyl)-5-(2-phenylethyl)-1H-pyrazole

Product 1

HCID 23159974ethyl 3-{2-fluoro-4-[(4-{[3-(4-fluorophenyl)-5-(2-phenylethyl)-1H-pyrazol-1-yl]methyl}benzyl)oxy]phenyl}propanoate

Sources & evidence

ORD record
ord-ec930b111b2041d0b78af5bd356d1f16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…