Acetone → Methanesulfonic Acid

HRID 1554885Notes

Reaction equation

HRID 1554885 reaction equation
[CH3:42][S:43]([OH:44])(=[O:45])=[O:46].[CH3:47][C:48](=[O:49])[CH3:50].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:41])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:34][CH2:35][c:36]2[nH:37][cH:38][cH:39][n:40]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[s:26][cH:27][cH:28][n:29]3)[cH:30][cH:31][c:32]2[CH3:33])[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[CH3:42][S:43](=[O:44])(=[O:45])[OH:46].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:41])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:34][CH2:35][c:36]2[n:37][cH:38][cH:39][nH:40]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[s:26][cH:27][cH:28][n:29]3)[cH:30][cH:31][c:32]2[CH3:33])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 3

HCID 180AcetoneHCID 6395Methanesulfonic AcidHCID 119481803-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl}-4-methyl-N-1,3-thiazol-2-ylbenzamide

Product 2

HCID 6395Methanesulfonic AcidHCID 119481803-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl}-4-methyl-N-1,3-thiazol-2-ylbenzamide

Sources & evidence

ORD record
ord-7b22279700154849a23cf3e36ca84413
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…