Methanol → Methanesulfonic Acid

HRID 212505Notes

Reaction equation

HRID 212505 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[c:10]([C:38]([F:39])([F:40])[F:41])[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28](-[c:30]5[cH:31][n:32][cH:33][n:34][cH:35]5)[n:29]4)[c:19]([CH3:22])[cH:20][cH:21]3)[cH:36][cH:37]2)[CH2:6][CH2:7]1.[CH3:42][S:43]([OH:44])(=[O:45])=[O:46].[CH3:47][OH:48]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[c:10]([C:38]([F:39])([F:40])[F:41])[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28](-[c:30]5[cH:31][n:32][cH:33][n:34][cH:35]5)[n:29]4)[c:19]([CH3:22])[cH:20][cH:21]3)[cH:36][cH:37]2)[CH2:6][CH2:7]1.[CH3:42][S:43](=[O:44])(=[O:45])[OH:46]

Participants

5

Reactant 3

HCID 887MethanolHCID 6395Methanesulfonic AcidHCID 9807952N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide

Product 2

HCID 6395Methanesulfonic AcidHCID 9807952N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-c646f493ed9a4ec8b14bcd1c3a6514ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…