Methanol → Pexmetinib

HRID 289199Notes

Reaction equation

[BH4-:42].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][c:15]2[c:16]([O:22][c:23]3[cH:24][c:25]4[cH:26][n:27][n:28]([CH2:32][CH:33]=[O:34])[c:29]4[cH:30][cH:31]3)[cH:17][cH:18][c:19]([F:21])[cH:20]2)[cH:9]1.[CH3:44][OH:45].[Na+:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][c:15]2[c:16]([O:22][c:23]3[cH:24][c:25]4[cH:26][n:27][n:28]([CH2:32][CH2:33][OH:34])[c:29]4[cH:30][cH:31]3)[cH:17][cH:18][c:19]([F:21])[cH:20]2)[cH:9]1

Participants

Reactant 4

HCID 887Methanol

HCID 923Sodium ion

HCID 28123Borohydride

HCID 575522811-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-((5-fluoro-2-(1-(2-oxoethyl)-1H-indazol-5-yloxy)phenyl)methyl)urea

Product 1

HCID 24765037Pexmetinib

Sources & evidence

ORD record: ord-9bf417a995724d98809c51c38a34436f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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