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

Potassium Cation → N-tert-Butyl-2-{4-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-piperidin-1-yl}-acetamide

HRID 292205
Notes
Print preview

Reaction equation

HRID 292205 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[C:35]([CH3:36])([CH3:37])([CH3:38])[NH:39][C:40]([CH2:41][Cl:42])=[O:43].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[Cl:49][CH2:50][Cl:51].[K+:33].[K+:34].[OH2:52]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([CH2:41][C:40]([NH:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:43])[CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 222440N-tert-butyl-2-chloroacetamideHCID 58203779
2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-piperidin-4-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

Product 1

HCID 67050586N-tert-Butyl-2-{4-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-piperidin-1-yl}-acetamide

Sources & evidence

ORD record
ord-0143c4c5027649c9ab0ebb8853cdee72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes