Potassium Cation → [8-(2-ethoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(2-methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-amine

HRID 1535292Notes

Reaction equation

HRID 1535292 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:14]2[c:15]3[n:16]([cH:17][cH:18][cH:19]2)[n:20][c:21]([NH:23][c:24]2[cH:25][c:26]4[c:27]([cH:33][cH:34]2)[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]4)[n:22]3)[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:41][CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH3:47].[I-:49].[K+:39].[K+:40].[Na+:48]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:14]2[c:15]3[n:16]([cH:17][cH:18][cH:19]2)[n:20][c:21]([NH:23][c:24]2[cH:25][c:26]4[c:27]([cH:33][cH:34]2)[CH2:28][CH2:29][N:30]([CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH3:47])[CH2:31][CH2:32]4)[n:22]3)[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 3035331-Chloro-2-methanesulfonylethaneHCID 59612549[8-(2-ethoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridine-2-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-amine

Product 1

HCID 59612422[8-(2-ethoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(2-methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-amine

Sources & evidence

ORD record
ord-d6552f06cc794941bfcd2f620073413b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…