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

Acetic Acid → 2-(7-Hydroxyheptyl)-3-(4-methyl-3-oxooct-1-enyl)-5-(2-tetrahydropyranyloxy)cyclopentanol

HRID 1568329
Notes
Print preview

Reaction equation

HRID 1568329 reaction equation
[CH3:1][CH:2]([C:3]([CH2:4][P:5](=[O:6])([O:7][CH3:8])[O:9][CH3:10])=[O:11])[CH2:12][CH2:13][CH2:14][CH3:15].[CH3:48][C:49](=[O:50])[OH:51].[CH:20](=[O:21])[CH:22]1[CH:23]([CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][OH:42])[CH:24]([OH:34])[CH:25]([O:27][CH:28]2[O:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:26]1.[H-:16].[H:18][H:19].[Na+:17].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH3:1][CH:2]([C:3]([CH:4]=[CH:20][CH:22]1[CH:23]([CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][OH:42])[CH:24]([OH:34])[CH:25]([O:27][CH:28]2[O:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:26]1)=[O:11])[CH2:12][CH2:13][CH2:14][CH3:15]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 166653HydrideHCID 12906670Dimethyl 2-Oxo-3-methylheptylphosphonateHCID 203548513-Formyl-2-(7-hydroxyheptyl)-5-(2-tetrahydropyranyloxy)cyclopentanolHCID 178418361
HCID 178418361, compound

Product 1

HCID 867350452-(7-Hydroxyheptyl)-3-(4-methyl-3-oxooct-1-enyl)-5-(2-tetrahydropyranyloxy)cyclopentanol

Sources & evidence

ORD record
ord-ccf129fb30c243eea05eae8993b5d519
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes