Hydrochloric Acid → [4-(6-Chloroquinolin-2-yl)piperazin-1-yl]-[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanone

HRID 668518Notes

Reaction equation

HRID 668518 reaction equation
[CH3:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([O:32][CH:33]([C:34]([F:35])([F:36])[F:37])[CH3:38])[c:27]([C:28](=[O:29])[OH:30])[cH:31]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][C:46]#[N:47].[Cl:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[n:9][c:10]2[cH:11][cH:12]1.[ClH:1]>>[Cl:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([N:13]3[CH2:14][CH2:15][N:16]([C:28]([c:27]4[c:26]([O:32][CH:33]([C:34]([F:35])([F:36])[F:37])[CH3:38])[cH:25][cH:24][c:23]([S:20]([CH3:19])(=[O:21])=[O:22])[cH:31]4)=[O:29])[CH2:17][CH2:18]3)[n:9][c:10]2[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 102640156-Chloro-2-piperazin-1-yl-quinolineHCID 211003065-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

Product 1

HCID 68971464[4-(6-Chloroquinolin-2-yl)piperazin-1-yl]-[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanone

Sources & evidence

ORD record
ord-e39fdd3917c04fa39bf951d123781d24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…