Methanol → Pexmetinib

HRID 2162954Notes

Reaction equation

[BH4-:44].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:37]2[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]2)[c:8]([NH:10][C:11]([NH:12][CH2:13][c:14]2[c:15]([O:16][c:17]3[cH:18][c:19]4[cH:20][n:21][n:22]([CH2:26][C:27](=[O:28])[O:29][CH3:30])[c:23]4[cH:24][cH:25]3)[cH:31][cH:32][c:33]([F:35])[cH:34]2)=[O:36])[cH:9]1.[CH3:46][OH:47].[Na+:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:37]2[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]2)[c:8]([NH:10][C:11]([NH:12][CH2:13][c:14]2[c:15]([O:16][c:17]3[cH:18][c:19]4[cH:20][n:21][n:22]([CH2:26][CH2:27][OH:28])[c:23]4[cH:24][cH:25]3)[cH:31][cH:32][c:33]([F:35])[cH:34]2)=[O:36])[cH:9]1

Participants

Reactant 4

HCID 887Methanol

HCID 923Sodium ion

HCID 28123Borohydride

HCID 57552299Methyl 2-(5-(2-((3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)methyl)-4-fluorophenoxy)-1H-indazol-1-yl)acetate

Product 1

HCID 24765037Pexmetinib

Sources & evidence

ORD record: ord-8430885a8f8f4b47890767073c4e6fbc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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