Acetate → HCID 66741757, compound

HRID 302095Notes

Reaction equation

HRID 302095 reaction equation
[C:56](=[O:57])([O-:58])[O-:59].[CH3:62][C:63]#[N:64].[Cl:1][C:2]1=[N:8][CH:7]([CH2:9][c:10]2[cH:11][c:12]([CH2:18][CH3:19])[c:13]([CH2:16][CH3:17])[cH:14][cH:15]2)[C:6](=[O:20])[N:5]([CH3:21])[c:4]2[c:3]1[cH:25][c:24]([Cl:26])[cH:23][cH:22]2.[Cs+:60].[Cs+:61].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:65].[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][c:33]([F:34])[cH:35][cH:36]1.[Pd+2:66].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[C:2]1([c:30]2[cH:31][cH:32][c:33]([F:34])[cH:35][cH:36]2)=[N:8][CH:7]([CH2:9][c:10]2[cH:11][c:12]([CH2:18][CH3:19])[c:13]([CH2:16][CH3:17])[cH:14][cH:15]2)[C:6](=[O:20])[N:5]([CH3:21])[c:4]2[c:3]1[cH:25][c:24]([Cl:26])[cH:23][cH:22]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2856454-Fluorophenylboronic acidHCID 66741519HCID 66741519, compound

Product 1

HCID 66741757HCID 66741757, compound

Sources & evidence

ORD record
ord-3a153a230fc741778c4483ffa9264cb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…