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

Bicarbonate Ion → Benzyl 1-({[4-([2-[(phenoxycarbonyl)amino]pyridin-4-yl}oxy)-2,5-difluorophenyl]amino}carbonyl)cyclopropanecarboxylate

HRID 1123462
Notes
Print preview

Reaction equation

HRID 1123462 reaction equation
[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[Cl:39][C:40](=[O:41])[O:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([F:32])[c:12]([NH:16][C:17](=[O:18])[C:19]3([C:22](=[O:23])[O:24][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:20][CH2:21]3)[cH:13][c:14]2[F:15])[cH:7]1.[Na+:49].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH:50][C:51](=[O:52])[O-:53].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([F:32])[c:12]([NH:16][C:17](=[O:18])[C:19]3([C:22](=[O:23])[O:24][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:20][CH2:21]3)[cH:13][c:14]2[F:15])[cH:7]1)[C:40](=[O:41])[O:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1049PyridineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 15891Phenyl chloroformateHCID 24788626Benzyl 1-[({4-[(2-aminopyridin-4-yl)oxy]-2,5-difluorophenyl}amino)carbonyl]cyclopropanecarboxylate

Product 1

HCID 24788625Benzyl 1-({[4-([2-[(phenoxycarbonyl)amino]pyridin-4-yl}oxy)-2,5-difluorophenyl]amino}carbonyl)cyclopropanecarboxylate

Sources & evidence

ORD record
ord-cfc2864a6ca6467f984e88f5ddc4c2de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes