Acetate → HCID 15950606, compound

HRID 676255Notes

Reaction equation

HRID 676255 reaction equation
[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH2:62][CH3:63].[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[Cl:1][c:2]1[n:3]2[cH:4][cH:5][c:6](=[O:20])[c:7](-[c:12]3[c:13]([Cl:19])[cH:14][cH:15][cH:16][c:17]3[Cl:18])[c:8]2[cH:9][cH:10][cH:11]1.[Cl:21][c:22]1[c:23]([B:28]([OH:29])[OH:30])[cH:24][cH:25][cH:26][cH:27]1.[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[Pd+2:68].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1(-[c:23]2[c:22]([Cl:21])[cH:27][cH:26][cH:25][cH:24]2)[n:3]2[cH:4][cH:5][c:6](=[O:20])[c:7](-[c:12]3[c:13]([Cl:19])[cH:14][cH:15][cH:16][c:17]3[Cl:18])[c:8]2[cH:9][cH:10][cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 123138EthylHCID 27343222-Chlorophenylboronic acidHCID 57700381HCID 57700381, compound

Product 1

HCID 15950606HCID 15950606, compound

Sources & evidence

ORD record
ord-109e650a5d1f4583bb3de57c64687dd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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