Acetone → Ethanesulfonic acid

HRID 1555721Notes

Reaction equation

HRID 1555721 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][C:2](=[O:3])[CH3:4].[CH3:46][CH2:47][S:48]([OH:49])(=[O:50])=[O:51].[F:5][c:6]1[c:7](-[n:13]2[c:14](=[O:45])[cH:15][cH:16][c:17]3[c:18]2[n:19][c:20]([NH:38][CH2:39][c:40]2[nH:41][cH:42][cH:43][n:44]2)[n:21][c:22]3-[c:23]2[cH:24][c:25]([C:26](=[O:27])[NH:28][c:29]3[s:30][cH:31][cH:32][n:33]3)[cH:34][cH:35][c:36]2[CH3:37])[c:8]([F:12])[cH:9][cH:10][cH:11]1>>[CH3:46][CH2:47][S:48](=[O:49])(=[O:50])[OH:51].[F:5][c:6]1[c:7](-[n:13]2[c:14](=[O:45])[cH:15][cH:16][c:17]3[c:18]2[n:19][c:20]([NH:38][CH2:39][c:40]2[n:41][cH:42][cH:43][nH:44]2)[n:21][c:22]3-[c:23]2[cH:24][c:25]([C:26](=[O:27])[NH:28][c:29]3[s:30][cH:31][cH:32][n:33]3)[cH:34][cH:35][c:36]2[CH3:37])[c:8]([F:12])[cH:9][cH:10][cH:11]1

Participants

6

Reactant 4

HCID 180AcetoneHCID 8028TetrahydrofuranHCID 11668Ethanesulfonic 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 11668Ethanesulfonic 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-477a3ff881f44550b934666213d497aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…