Acetate → HCID 178481145, compound

HRID 148565Notes

Reaction equation

HRID 148565 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([NH:8][CH:9]2[CH:10]([OH:15])[CH2:11][N:12]([CH3:14])[CH2:13]2)[cH:6][cH:7]1.[Cl:78][CH2:79][Cl:80].[F:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:44]1)[O:25][CH2:26][c:27]1[c:28]([cH:40][cH:41][cH:42][cH:43]1)[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+:64].[K+:65].[O-:66][C:67]([O-:68])=[O:69].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[OH2:70].[OH2:77].[Pd+2:81].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[c:2]1([CH:30]=[C:29]2[c:23]3[cH:22][cH:21][c:20]([F:19])[cH:44][c:24]3[O:25][CH2:26][c:27]3[c:28]2[cH:40][cH:41][cH:42][cH:43]3)[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([NH:8][CH:9]2[CH:10]([OH:15])[CH2:11][N:12]([CH3:14])[CH2:13]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962Water2×HCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57748730HCID 57748730, compoundHCID 67336359HCID 67336359, compound

Product 1

HCID 178481145HCID 178481145, compound

Sources & evidence

ORD record
ord-e9b6a7a3dc3d4b9788fef5009c3b7fce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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