Bromide ion → HCID 178502694, compound

HRID 685596Notes

Reaction equation

HRID 685596 reaction equation
[Br-:1].[C:60](=[O:61])([O-:62])[O-:63].[C:73]([O:74][CH2:75][CH3:76])(=[O:77])[CH3:78].[CH2:2]([P+:3]([CH2:4][CH2:5][CH2:6][CH3:30])([CH2:7][c:8]1[c:9](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:10][c:11]([N:17]([S:18](=[O:19])(=[O:20])[CH3:21])[CH3:22])[n:12][c:13]1[CH:14]([CH3:15])[CH3:16])[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[CH:38](=[O:39])[CH:40]1[CH2:41][CH:42]([CH2:48][C:49](=[O:50])[N:51]([CH3:52])[O:53][CH3:54])[O:43][C:44]([CH3:46])([CH3:47])[O:45]1.[K+:64].[K+:65].[OH2:66]>>[CH:7]([c:8]1[c:9](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:10][c:11]([N:17]([S:18](=[O:19])(=[O:20])[CH3:21])[CH3:22])[n:12][c:13]1[CH:14]([CH3:15])[CH3:16])=[CH:38][CH:40]1[CH2:41][CH:42]([CH2:48][C:49](=[O:50])[N:51]([CH3:52])[O:53][CH3:54])[O:43][C:44]([CH3:46])([CH3:47])[O:45]1

Participants

10

Reactant 9

HCID 259Bromide ionHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 49783152Tributyl-[[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]methyl]phosphaniumHCID 178502695HCID 178502695, compound

Product 1

HCID 178502694HCID 178502694, compound

Sources & evidence

ORD record
ord-54065855a9174e16a7ea4910f6099106
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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