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

Bicarbonate Ion → 3-{2-[N-(propoxycarbonyl)-N-(trifluoromethanesulfonyl)amino]benzyl)-[1,3]-oxazinan-2-one

HRID 144296
Notes
Print preview

Reaction equation

HRID 144296 reaction equation
[C:23](=[O:24])([O-:25])[OH:26].[CH3:36][C:37]#[N:38].[Cl:28][C:29](=[O:30])[O:31][CH2:32][CH2:33][CH3:34].[F:1][C:2]([S:3](=[O:4])(=[O:5])[NH:6][c:7]1[c:8]([CH2:9][N:10]2[C:11](=[O:16])[O:12][CH2:13][CH2:14][CH2:15]2)[cH:17][cH:18][cH:19][cH:20]1)([F:21])[F:22].[Na+:27].[OH2:35]>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[N:6]([c:7]1[c:8]([CH2:9][N:10]2[C:11](=[O:16])[O:12][CH2:13][CH2:14][CH2:15]2)[cH:17][cH:18][cH:19][cH:20]1)[C:29](=[O:30])[O:31][CH2:32][CH2:33][CH3:34])([F:21])[F:22]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6342AcetonitrileHCID 7998Propyl chloroformateHCID 509434753-[2-(Trifluoromethanesulfonylamino)benzyl]-[1,3]-oxazinan-2-one

Product 1

HCID 67458997
3-{2-[N-(propoxycarbonyl)-N-(trifluoromethanesulfonyl)amino]benzyl)-[1,3]-oxazinan-2-one

Sources & evidence

ORD record
ord-2fa4a545b60e405c9c2f780539c1ff82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes