Hydrochloric Acid → Hydrochloric Acid

HRID 86023Notes

Reaction equation

HRID 86023 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[ClH:40].[ClH:41].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[cH:22][c:23]4[n:24]([cH:25][cH:26]3)[cH:27][c:28]([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[n:29]4)[n:19][o:20]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([C:11]([F:12])([F:13])[F:14])[CH3:15])([F:36])[F:37].[Na+:39].[OH-:38]>>[ClH:40].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[cH:22][c:23]4[n:24]([cH:25][cH:26]3)[cH:27][c:28]([CH2:30][C:31](=[O:32])[OH:33])[n:29]4)[n:19][o:20]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([C:11]([F:12])([F:13])[F:14])[CH3:15])([F:36])[F:37]

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl Acetate2×HCID 59214348Ethyl (7-{5-[3-(trifluoromethyl)-4-(2,2,2-trifluoro-1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl}imidazo[1,2-a]pyridin-2-yl)acetate

Product 2

HCID 313Hydrochloric AcidHCID 592142032-[7-[5-[3-(Trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetic acid

Sources & evidence

ORD record
ord-4ee216630a6a4400ad749b14b218b33a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…