Hydrochloric Acid → 5-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-2-fluoro-benzoic acid

HRID 1217124

Reaction equation

HRID 1217124 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([F:39])[cH:7][cH:8][c:9]([O:11][c:12]2[cH:13][c:14]([Cl:38])[c:15]([CH:18]([C:19]([C:20]([F:21])([F:22])[F:23])([c:24]3[cH:25][cH:26][c:27]4[c:28]([cH:35]3)[N:29]([CH3:34])[C:30](=[O:33])[CH2:31][O:32]4)[OH:36])[CH3:37])[cH:16][cH:17]2)[cH:10]1)=[O:40].[CH3:49][OH:50].[ClH:43].[Li+:42].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:41]>>[O:3]=[C:4]([c:5]1[c:6]([F:39])[cH:7][cH:8][c:9]([O:11][c:12]2[cH:13][c:14]([Cl:38])[c:15]([CH:18]([C:19]([C:20]([F:21])([F:22])[F:23])([c:24]3[cH:25][cH:26][c:27]4[c:28]([cH:35]3)[N:29]([CH3:34])[C:30](=[O:33])[CH2:31][O:32]4)[OH:36])[CH3:37])[cH:16][cH:17]2)[cH:10]1)[OH:40]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 666973435-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-2-fluoro-benzoic acid ethyl ester

Product 1

HCID 469091285-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-2-fluoro-benzoic acid

Sources & evidence

ORD record
ord-1d6b3837f927413a8f46b62018dc18cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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