Hydrochloric Acid → 4-[4-[1-(2-hydroxyethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

HRID 1538794Notes

Reaction equation

HRID 1538794 reaction equation
[C:54](=[O:55])([OH:56])[O-:57].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:16])[CH2:10][CH:11]2[C:12]([F:13])([F:14])[F:15].[ClH:17].[ClH:18].[NH:19]1[CH2:20][CH2:21][CH:22]([c:25]2[n:26]([CH2:35][CH2:36][OH:37])[cH:27][c:28]([CH2:30][C:31]([F:32])([F:33])[F:34])[n:29]2)[CH2:23][CH2:24]1.[Na+:58]>>[c:2]1([N:19]2[CH2:20][CH2:21][CH:22]([c:25]3[n:26]([CH2:35][CH2:36][OH:37])[cH:27][c:28]([CH2:30][C:31]([F:32])([F:33])[F:34])[n:29]3)[CH2:23][CH2:24]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:16])[CH2:10][CH:11]2[C:12]([F:13])([F:14])[F:15]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 671120902-[2-Piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanolHCID 866665794-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one

Product 1

HCID 872737504-[4-[1-(2-hydroxyethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

Sources & evidence

ORD record
ord-95bda16198ff41609d9485e939929b27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…