HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Potassium Cation → 3-(3-(4-benzylpiperidin-1-yl)propyl)-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepine

HRID 2312511
Notes
Print preview

Reaction equation

HRID 2312511 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[I-:40].[K+:37].[K+:38].[K+:39].[OH2:46].[OH:6][CH2:7][CH2:8][CH2:9][c:10]1[n:11][n:12][c:13]2[n:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2>>[CH2:7]([CH2:8][CH2:9][c:10]1[n:11][n:12][c:13]2[n:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[N:30]1[CH2:29][CH2:28][CH:27]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:32][CH2:31]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31297Methanesulfonyl chloride
HCID 31738
4-Benzylpiperidine
HCID 246884223-(3-hydroxypropyl)-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepine

Product 1

HCID 155211573-(3-(4-benzylpiperidin-1-yl)propyl)-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepine

Sources & evidence

ORD record
ord-24a962a10bb4497d839dc72ef7f9efff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes