Acetate → Hydrogen Bromide

HRID 2157130Notes

Reaction equation

HRID 2157130 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:13][CH2:14][CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH3:44][O:45][c:46]1[cH:47][cH:48][c:49]([CH:50]=[CH2:51])[cH:52][cH:53]1.[CH3:89][C:90]#[N:91].[CH3:92][S:93]([CH3:94])=[O:95].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH2:40][Cl:41])([CH3:42])[CH3:43].[CH:76]([OH:77])([CH3:78])[CH3:79].[Cl:23][CH2:24][CH2:25][CH2:26][N:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[ClH:22].[ClH:33].[Pd+2:84].[c:54]1([CH3:55])[cH:56][cH:57][cH:58][cH:59][c:60]1[P:61]([c:62]1[cH:63][cH:64][cH:65][cH:66][c:67]1[CH3:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][c:74]1[CH3:75]>>[BrH:1].[c:2]1([CH:51]=[CH:50][c:49]2[cH:48][cH:47][c:46]([O:45][CH3:44])[cH:53][cH:52]2)[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:13][CH2:14][CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]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 79625Piperidine, 1-(3-chloropropyl)-HCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 212933476-Bromo-2-(3-piperidinopropyl)phthalazin-1(2H)-one

Product 2

HCID 260Hydrogen BromideHCID 543786616-[2-(4-Methoxyphenyl)ethenyl]-2-(3-piperidin-1-ylpropyl)phthalazin-1-one

Sources & evidence

ORD record
ord-be7a954e01654716801bbb5db5255697
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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