Bromide ion → C25H23F3N4O2

HRID 1205538Notes

Reaction equation

HRID 1205538 reaction equation
[Br-:52].[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:29][S:30](=[O:31])(=[O:32])[Cl:33].[CH:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH2:25][CH3:26])([CH3:27])[CH3:28].[Na+:51].[OH-:50].[OH:1][CH2:2][c:3]1[n:4][c:5]([CH:8]=[CH:9][c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[o:6][cH:7]1.[n:34]1([CH2:39][CH2:40][CH2:41][CH2:42][c:43]2[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]2)[n:35][n:36][cH:37][cH:38]1>>[O:1]([CH2:2][c:3]1[n:4][c:5]([CH:8]=[CH:9][c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[o:6][cH:7]1)[c:46]1[cH:45][cH:44][c:43]([CH2:42][CH2:41][CH2:40][CH2:39][n:34]2[n:35][n:36][cH:37][cH:38]2)[cH:48][cH:47]1

Participants

10

Reactant 9

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 121094944-(4-[1,2,3]Triazol-1-yl-butyl)phenolHCID 68502458(2-{2-[4-(Trifluoromethyl)phenyl]ethenyl}-1,3-oxazol-4-yl)methanol

Product 1

HCID 204100C25H23F3N4O2

Sources & evidence

ORD record
ord-49eab2a4723d4f35980adc7af34b7a30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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