Hydrochloric Acid → [6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-(4-trifluoromethanesulfonyl-piperazin-1-yl)-methanone

HRID 312842Notes

Reaction equation

HRID 312842 reaction equation
[Br:1][c:2]1[c:3]([O:14][CH:15]2[CH2:16][CH2:17][N:18]([CH:21]([CH3:22])[CH3:23])[CH2:19][CH2:20]2)[cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[OH:13])[nH:8][c:9]2[cH:10]1.[ClH:24].[F:25][C:26]([S:27](=[O:28])(=[O:29])[N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1)([F:36])[F:37].[F:38][C:39]([F:40])([F:41])[S:42]([Cl:43])(=[O:44])=[O:45].[N:46]1([C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]1>>[Br:1][c:2]1[c:3]([O:14][CH:15]2[CH2:16][CH2:17][N:18]([CH:21]([CH3:22])[CH3:23])[CH2:19][CH2:20]2)[cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[N:33]3[CH2:32][CH2:31][N:30]([S:27]([C:26]([F:25])([F:36])[F:37])(=[O:28])=[O:29])[CH2:35][CH2:34]3)[nH:8][c:9]2[cH:10]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 79000Trifluoromethanesulfonyl chlorideHCID 143452tert-Butyl piperazine-1-carboxylateHCID 186908331-((Trifluoromethyl)sulfonyl)piperazineHCID 670179316-bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indole-2-carboxylic acid

Product 1

HCID 68565282[6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-(4-trifluoromethanesulfonyl-piperazin-1-yl)-methanone

Sources & evidence

ORD record
ord-d82c061e2d134ed2a728e3045ced8c0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…