Acetate → Hydrogen Bromide

HRID 671280Notes

Reaction equation

HRID 671280 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:78]([O-:79])(=[O:80])[CH3:81].[C:83]([O-:84])(=[O:85])[CH3:86].[CH3:42][O:43][c:44]1[cH:45][cH:46][c:47]([CH:48]=[CH2:49])[cH:50][cH:51]1.[CH3:87][C:88]#[N:89].[CH3:90][S:91]([CH3:92])=[O:93].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH2:38][Cl:39])([CH3:40])[CH3:41].[CH:74]([OH:75])([CH3:76])[CH3:77].[ClH:21].[ClH:31].[O:22]1[CH2:23][CH2:24][N:25]([CH2:26][CH2:27][Cl:28])[CH2:29][CH2:30]1.[Pd+2:82].[c:52]1([CH3:53])[cH:54][cH:55][cH:56][cH:57][c:58]1[P:59]([c:60]1[cH:61][cH:62][cH:63][cH:64][c:65]1[CH3:66])[c:67]1[cH:68][cH:69][cH:70][cH:71][c:72]1[CH3:73]>>[BrH:1].[c:2]1([CH:49]=[CH:48][c:47]2[cH:46][cH:45][c:44]([O:43][CH3:42])[cH:51][cH:50]2)[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

13

Reactant 11

HCID 175Acetate2×HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 3776IsopropanolHCID 6342AcetonitrileHCID 73122-(Diisopropylamino)ethyl chlorideHCID 125074-MethoxystyreneHCID 767274-(2-Chloroethyl)morpholineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21293342HCID 21293342, compound

Product 2

HCID 260Hydrogen BromideHCID 54194688HCID 54194688, compound

Sources & evidence

ORD record
ord-e59f13385b214de4b089c07df9a3f5f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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