Acetate → HCID 66683297, compound

HRID 1560468Notes

Reaction equation

HRID 1560468 reaction equation
[Br:1][c:2]1[s:3][cH:4][c:5]([CH:7]([CH2:8][OH:9])[OH:10])[n:6]1.[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[n:18]1[c:19]([B:23]([OH:24])[OH:25])[cH:20][cH:21][cH:22]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[K+:49].[K+:50].[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[OH2:72].[Pd+2:57].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:2]1(-[c:19]2[n:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[cH:22][cH:21][cH:20]2)[s:3][cH:4][c:5]([CH:7]([CH2:8][OH:9])[OH:10])[n:6]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343211-(tert-Butoxycarbonyl)-2-pyrroleboronic AcidHCID 66681631HCID 66681631, compound

Product 1

HCID 66683297HCID 66683297, compound

Sources & evidence

ORD record
ord-a343266bc076457b9ced29bb8b89314d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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