4-Fluorophenol → HCID 178430352, compound

HRID 1141968Notes

Reaction equation

HRID 1141968 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[n:6][cH:7]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][C:48]([CH3:49])([C:50](=[O:51])[CH2:52][C:53](=[O:54])[C:55]([CH3:56])([CH3:57])[CH3:58])[CH3:59].[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[Cl:67][Cu:68].[Cs+:45].[Cs+:46].[F:33][c:34]1[cH:35][cH:36][c:37]([OH:40])[cH:38][cH:39]1>>[c:2]1([O:40][c:37]2[cH:36][cH:35][c:34]([F:33])[cH:39][cH:38]2)[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[n:6][cH:7]1

Participants

8

Reactant 7

HCID 97324-FluorophenolHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 62652Cuprous chlorideHCID 707002,2,6,6-Tetramethyl-3,5-heptanedioneHCID 104967Cesium cation2×HCID 178430327tert-butyl 4-[[4-[(5-bromopyridine-2-carbonyl)-methylamino]phenyl]methyl]-2-methylpiperazine-1-carboxylate

Product 1

HCID 178430352HCID 178430352, compound

Sources & evidence

ORD record
ord-e415aa5e88b94712ab6b37b2cdcbaf71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…