Ethanol → Methanesulfonic Acid

HRID 284864Notes

Reaction equation

HRID 284864 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[NH:16][c:17]3[c:18]([CH3:36])[cH:19][cH:20][c:21]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28](-[c:30]5[cH:31][n:32][cH:33][cH:34][cH:35]5)[n:29]4)[cH:22]3)[cH:37][cH:38]2)[CH2:6][CH2:7][CH2:8]1.[CH3:39][S:40]([OH:41])(=[O:42])=[O:43].[CH3:44][CH2:45][OH:46]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[NH:16][c:17]3[c:18]([CH3:36])[cH:19][cH:20][c:21]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28](-[c:30]5[cH:31][n:32][cH:33][cH:34][cH:35]5)[n:29]4)[cH:22]3)[cH:37][cH:38]2)[CH2:6][CH2:7][CH2:8]1.[CH3:39][S:40](=[O:41])(=[O:42])[OH:43]

Participants

5

Reactant 3

HCID 702EthanolHCID 6395Methanesulfonic AcidHCID 688162014-(4-methylhomopiperazin-1-ylmethyl)-N-[2-methyl-5-(4-(pyridin-3-yl)pyrimidin-2-yl)aminophenyl]benzamide

Product 2

HCID 6395Methanesulfonic AcidHCID 688162014-(4-methylhomopiperazin-1-ylmethyl)-N-[2-methyl-5-(4-(pyridin-3-yl)pyrimidin-2-yl)aminophenyl]benzamide

Sources & evidence

ORD record
ord-2f48bf971d264116a6799aa304d1982b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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