Acetate → HCID 11632226, compound

HRID 164886Notes

Reaction equation

HRID 164886 reaction equation
[Br:10][c:11]1[cH:12][n:13][c:14]2[c:15]3[c:16]([c:17]([NH2:21])[n:18][c:19]2[cH:20]1)[n:22][c:23]([CH2:29][O:30][CH2:31][CH3:32])[n:24]3[CH2:25][CH:26]([CH3:27])[CH3:28].[CH2:68]([OH:69])[CH2:70][CH3:71].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:67].[Pd+2:58].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[n:1]1[cH:2][c:3]([B:7]([OH:8])[OH:9])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[c:11]2[cH:12][n:13][c:14]3[c:15]4[c:16]([c:17]([NH2:21])[n:18][c:19]3[cH:20]2)[n:22][c:23]([CH2:29][O:30][CH2:31][CH3:32])[n:24]4[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343783-Pyridinylboronic acidHCID 67052511HCID 67052511, compound

Product 1

HCID 11632226HCID 11632226, compound

Sources & evidence

ORD record
ord-42c858e84a1345818eef328d88f77780
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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