Ammonium → Dabrafenib Hydroxy

HRID 121303Notes

Reaction equation

HRID 121303 reaction equation
[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[c:19]([F:36])[c:20]([NH:24][S:25](=[O:26])(=[O:27])[c:28]4[c:29]([F:35])[cH:30][cH:31][cH:32][c:33]4[F:34])[cH:21][cH:22][cH:23]3)[n:10][c:11]([C:13]([CH2:14][OH:15])([CH3:16])[CH3:17])[s:12]2)[n:7]1.[NH4+:37].[OH-:38].[OH2:39]>>[c:2]1([NH2:37])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[c:19]([F:36])[c:20]([NH:24][S:25](=[O:26])(=[O:27])[c:28]4[c:29]([F:35])[cH:30][cH:31][cH:32][c:33]4[F:34])[cH:21][cH:22][cH:23]3)[n:10][c:11]([C:13]([CH2:14][OH:15])([CH3:16])[CH3:17])[s:12]2)[n:7]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 57989895HCID 57989895, compound

Product 1

HCID 57989740Dabrafenib Hydroxy

Sources & evidence

ORD record
ord-2fbb1d57069643d3bc71a0fa2daae435
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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