Acetate → HCID 86658338, compound

HRID 196841Notes

Reaction equation

HRID 196841 reaction equation
[C:68](=[O:69])([O-:70])[O-:71].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[Cs+:72].[Cs+:73].[F:1][C:2]([c:3]1[c:4]([Br:13])[cH:5][c:6]([C:9]([F:10])([F:11])[F:12])[cH:7][cH:8]1)([F:14])[F:15].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[OH2:90].[OH:16][CH:17]1[CH2:18][NH:19][CH2:20][CH2:21]1.[Pd+2:81].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[F:1][C:2]([c:3]1[c:4]([N:19]2[CH2:18][CH:17]([OH:16])[CH2:21][CH2:20]2)[cH:5][c:6]([C:9]([F:10])([F:11])[F:12])[cH:7][cH:8]1)([F:14])[F:15]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 982104-HydroxypyrrolidineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 27347632,5-Bis(trifluoromethyl)bromobenzene

Product 1

HCID 86658338HCID 86658338, compound

Sources & evidence

ORD record
ord-508b5026b8af473ea541b3cde71e4571
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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