Acetate → HCID 67336720, compound

HRID 100194Notes

Reaction equation

HRID 100194 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([NH:8][N:9]2[CH2:10][CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]2)[cH:6][cH:7]1.[CH3:66][C:67](=[O:68])[O-:69].[F:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:45]1)[O:25][CH2:26][c:27]1[c:28]([cH:40][cH:41][cH:42][c:43]1[F:44])[C:29]2=[CH:30][B:31]1[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]1.[K+:65].[O-:79][C:80]([CH3:81])=[O:82].[O-:83][C:84]([CH3:85])=[O:86].[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[OH2:70].[OH2:77].[Pd+2:78].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[c:2]1([CH:30]=[C:29]2[c:23]3[cH:22][cH:21][c:20]([F:19])[cH:45][c:24]3[O:25][CH2:26][c:27]3[c:28]2[cH:40][cH:41][cH:42][c:43]3[F:44])[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([NH:8][N:9]2[CH2:10][CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate3×HCID 813Potassium CationHCID 962Water2×HCID 11776TriphenylphosphineHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 67334316HCID 67334316, compoundHCID 67335789HCID 67335789, compound

Product 1

HCID 67336720HCID 67336720, compound

Sources & evidence

ORD record
ord-df9afc1c5bfc4ed1ac1083e0577713da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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