Potassium Cation → [3-(2-Methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl]-[5-(2-methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine

HRID 1558055Notes

Reaction equation

HRID 1558055 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:1][O:2][CH2:3][c:4]1[c:5](-[c:10]2[cH:11][cH:12][cH:13][c:14]3[n:15]2[n:16][c:17]([NH:19][c:20]2[cH:21][c:22]4[c:23]([cH:29][cH:30]2)[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]4)[n:18]3)[cH:6][cH:7][cH:8][cH:9]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:37][CH2:38][CH2:39][S:40](=[O:41])(=[O:42])[CH3:43].[I-:45].[K+:35].[K+:36].[Na+:44]>>[CH3:1][O:2][CH2:3][c:4]1[c:5](-[c:10]2[cH:11][cH:12][cH:13][c:14]3[n:15]2[n:16][c:17]([NH:19][c:20]2[cH:21][c:22]4[c:23]([cH:29][cH:30]2)[CH2:24][CH2:25][N:26]([CH2:38][CH2:39][S:40](=[O:41])(=[O:42])[CH3:43])[CH2:27][CH2:28]4)[n:18]3)[cH:6][cH:7][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 59612550[5-(2-Methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-amine

Product 1

HCID 59612426[3-(2-Methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl]-[5-(2-methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine

Sources & evidence

ORD record
ord-21c0f3037deb4959ae4c83ea9a3e2f5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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