Acetate → HCID 23590026, compound

HRID 2330697Notes

Reaction equation

HRID 2330697 reaction equation
[C:40]([P:41]([C:42]([CH3:43])([CH3:44])[CH3:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1-[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)([CH3:58])([CH3:59])[CH3:60].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([Br:30])[cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:31].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:75][CH2:76][O:77][CH2:78][CH3:79].[K+:37].[K+:38].[K+:39].[O-:81][C:82]([CH3:83])=[O:84].[O-:85][C:86]([CH3:87])=[O:88].[OH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[P:32]([O-:33])([O-:34])([O-:35])=[O:36].[Pd+2:80]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([O:61][c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:31]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 996PhenolHCID 1061PhosphateHCID 1140TolueneHCID 3283Diethyl EtherHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 110273422-(4-{2-[2-(4-Bromophenyl)-5-methyloxazol-4-yl]ethoxy}phenoxy)-2-methylpropionic acid ethyl ester

Product 1

HCID 23590026HCID 23590026, compound

Sources & evidence

ORD record
ord-6c4a61e771a94c22b87488c07e3dd236
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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