Acetate → HCID 178516412, compound

HRID 2315619Notes

Reaction equation

HRID 2315619 reaction equation
[Br:1][c:2]1[c:3]([C:9]([F:10])([F:11])[F:12])[cH:4][c:5]([Cl:8])[cH:6][cH:7]1.[C:65](=[O:66])([O-:67])[O-:68].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Cs+:69].[Cs+:70].[NH:13]1[CH2:14][CH:15]([OH:18])[CH2:16][CH2:17]1.[O-:79][C:80]([CH3:81])=[O:82].[O-:83][C:84]([CH3:85])=[O:86].[OH2:87].[Pd+2:78].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][c:30]3[c:31]([cH:32][cH:33][cH:34][cH:35]3)[c:36]2-[c:37]2[c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[cH:44][cH:45][c:46]2[P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[c:2]1([N:13]2[CH2:14][CH:15]([OH:18])[CH2:16][CH2:17]2)[c:3]([C:9]([F:10])([F:11])[F:12])[cH:4][c:5]([Cl:8])[cH:6][cH:7]1

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 1361722-Bromo-5-chlorobenzotrifluorideHCID 634876Binap, (A+-)-

Product 1

HCID 178516412HCID 178516412, compound

Sources & evidence

ORD record
ord-4c850f21a61a44e29fd7f4b77a4c5d3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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