Acetate → HCID 66958637, compound

HRID 167052Notes

Reaction equation

HRID 167052 reaction equation
[Br:1][c:2]1[c:3]([C:11]#[N:12])[n:4][n:5]([CH2:9][CH3:10])[c:6]1[CH2:7][CH3:8].[CH2:56]([OH:57])[CH2:58][CH3:59].[CH3:13][C:14]([C:15](=[O:16])[NH:17][c:18]1[c:19]([B:26]([OH:27])[OH:28])[cH:20][cH:21][c:22]([O:24][CH3:25])[cH:23]1)([CH3:29])[CH3:30].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[OH2:69].[Pd+2:60].[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:19]2[c:18]([NH:17][C:15]([C:14]([CH3:13])([CH3:29])[CH3:30])=[O:16])[cH:23][c:22]([O:24][CH3:25])[cH:21][cH:20]2)[c:3]([C:11]#[N:12])[n:4][n:5]([CH2:9][CH3:10])[c:6]1[CH2:7][CH3:8]

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 15197825HCID 15197825, compoundHCID 66958276HCID 66958276, compound

Product 1

HCID 66958637HCID 66958637, compound

Sources & evidence

ORD record
ord-40ac5cc27a0b45ebbac8ce87c21aa014
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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