Ammonia → Desmethyl dabrafenib

HRID 281361Notes

Reaction equation

HRID 281361 reaction equation
[CH3:36][OH:37].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[c:17]([F:34])[c:18]([NH:22][S:23](=[O:24])(=[O:25])[c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])[cH:19][cH:20][cH:21]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1.[NH3:35]>>[c:2]1([NH2:35])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[c:17]([F:34])[c:18]([NH:22][S:23](=[O:24])(=[O:25])[c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])[cH:19][cH:20][cH:21]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1

Participants

4

Reactant 3

HCID 222AmmoniaHCID 887MethanolHCID 57989924N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

Product 1

HCID 58345847Desmethyl dabrafenib

Sources & evidence

ORD record
ord-1731b8fd3491434187f531bfd123eafd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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