Hydrochloric Acid → Cobimetinib (racemate)

HRID 2311002Notes

Reaction equation

HRID 2311002 reaction equation
[CH3:38][OH:39].[ClH:40].[F:1][c:2]1[c:3]([NH:29][c:30]2[c:31]([F:37])[cH:32][c:33]([I:36])[cH:34][cH:35]2)[c:4]([C:9](=[O:10])[N:11]2[CH2:12][C:13]([OH:15])([CH:16]3[N:17]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:18][CH2:19][CH2:20][CH2:21]3)[CH2:14]2)[cH:5][cH:6][c:7]1[F:8].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[F:1][c:2]1[c:3]([NH:29][c:30]2[c:31]([F:37])[cH:32][c:33]([I:36])[cH:34][cH:35]2)[c:4]([C:9](=[O:10])[N:11]2[CH2:12][C:13]([OH:15])([CH:16]3[NH:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[CH2:14]2)[cH:5][cH:6][c:7]1[F:8]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 72309764Tert-butyl 2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate

Product 1

HCID 51038893Cobimetinib (racemate)

Sources & evidence

ORD record
ord-ce4b69942ca94865976f813d5df5372c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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