Bromide ion → HCID 53703705, compound

HRID 310674Notes

Reaction equation

HRID 310674 reaction equation
[Br-:1].[C:62](=[O:63])([O-:64])[OH:65].[CH2:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])[O:47][c:48]1[cH:49][cH:50][c:51](-[c:54]2[n:55][cH:56][c:57]([CH:60]=[O:61])[cH:58][n:59]2)[cH:52][cH:53]1.[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:67][O:68][C:69]([CH3:70])([CH3:71])[CH3:72].[CH:2]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][P+:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:66].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1>>[CH:2]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]=[CH:60][c:57]2[cH:56][n:55][c:54](-[c:51]3[cH:50][cH:49][c:48]([O:47][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])[cH:53][cH:52]3)[n:59][cH:58]2)[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8058HexaneHCID 15413tert-Butyl methyl etherHCID 19083469HCID 19083469, compoundHCID 19083564HCID 19083564, compound

Product 1

HCID 53703705HCID 53703705, compound

Sources & evidence

ORD record
ord-6a70b39ca47242d3b48c476cf9e19fb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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