Ethanol → Methanesulfonic Acid

HRID 1556570Notes

Reaction equation

HRID 1556570 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([NH:23][c:24]4[s:25][cH:26][c:27](-[c:29]5[cH:30][n:31][cH:32][cH:33][cH:34]5)[n:28]4)[c:19]([CH3:22])[cH:20][cH:21]3)[cH:35][cH:36]2)[CH2:6][CH2:7]1.[CH3:37][S:38]([OH:39])(=[O:40])=[O:41].[CH3:42][CH2:43][OH:44]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([NH:23][c:24]4[s:25][cH:26][c:27](-[c:29]5[cH:30][n:31][cH:32][cH:33][cH:34]5)[n:28]4)[c:19]([CH3:22])[cH:20][cH:21]3)[cH:35][cH:36]2)[CH2:6][CH2:7]1.[CH3:37][S:38](=[O:39])(=[O:40])[OH:41]

Participants

5

Reactant 3

HCID 702EthanolHCID 6395Methanesulfonic AcidHCID 100746404-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]amino}phenyl)benzamide

Product 2

HCID 6395Methanesulfonic AcidHCID 100746404-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]amino}phenyl)benzamide

Sources & evidence

ORD record
ord-294db84fca45425ca4f05d24a186c4ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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