Hydrochloric Acid → (3-{5-[5-Cyano-1-(2,4-difluoro-benzyl)-6-oxo-4-trifluoromethyl-1,6-dihydro-pyridin-2-yl]-thiophen-3-yl}-phenyl)-acetic acid

HRID 188294Notes

Reaction equation

HRID 188294 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:11]2[cH:12][s:13][c:14](-[c:16]3[n:17]([CH2:29][c:30]4[c:31]([F:37])[cH:32][c:33]([F:36])[cH:34][cH:35]4)[c:18](=[O:28])[c:19]([C:26]#[N:27])[c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[cH:15]2)[cH:8][cH:9][cH:10]1)=[O:38].[ClH:47].[Li+:45].[OH-:44].[OH2:46].[OH2:48]>>[O:2]=[C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:11]2[cH:12][s:13][c:14](-[c:16]3[n:17]([CH2:29][c:30]4[c:31]([F:37])[cH:32][c:33]([F:36])[cH:34][cH:35]4)[c:18](=[O:28])[c:19]([C:26]#[N:27])[c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[cH:15]2)[cH:8][cH:9][cH:10]1)[OH:38]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 67389181HCID 67389181, compound

Product 1

HCID 67388548(3-{5-[5-Cyano-1-(2,4-difluoro-benzyl)-6-oxo-4-trifluoromethyl-1,6-dihydro-pyridin-2-yl]-thiophen-3-yl}-phenyl)-acetic acid

Sources & evidence

ORD record
ord-29b1fae20fda492babfd7b12103212b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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