Acetate → HCID 59380348, compound

HRID 143472Notes

Reaction equation

HRID 143472 reaction equation
[C:54](=[O:55])([O-:56])[O-:57].[CH3:1][O:2][C:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][c:22]([I:25])[cH:23][cH:24]3)[cH:16][cH:17]2)[CH2:10][CH2:11]1)=[O:26].[CH3:60][O:61][CH2:62][CH2:63][O:64][CH3:65].[CH3:76][CH2:77][OH:78].[K+:58].[K+:59].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[OH2:75].[Pd+2:66].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[s:27]1[cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][c:22](-[c:29]4[cH:28][s:27][cH:31][cH:30]4)[cH:23][cH:24]3)[cH:16][cH:17]2)[CH2:10][CH2:11]1)=[O:26]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 581760Thiophene-3-boronic acidHCID 68426737HCID 68426737, compound

Product 1

HCID 59380348HCID 59380348, compound

Sources & evidence

ORD record
ord-4cfb1f55a2cc49acac510da720afb8f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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