Acetate → HCID 67282367, compound

HRID 102257Notes

Reaction equation

HRID 102257 reaction equation
[C:70](=[O:71])([O-:72])[O-:73].[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][cH:39][c:40]([NH:43][C:44]([C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[n:41][cH:42]2)[O:50]1.[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[CH3:88][C:89]#[N:90].[Cs+:74].[Cs+:75].[O-:92][C:93]([CH3:94])=[O:95].[O-:96][C:97]([CH3:98])=[O:99].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:87].[Pd+2:91].[c:1]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:2]([CH2:7][CH:8]2[N:9]=[C:10]([Cl:22])[c:11]3[c:12]([cH:17][cH:18][c:19]([Cl:21])[cH:20]3)[N:13]([CH3:16])[C:14]2=[O:15])[cH:3][cH:4][cH:5][cH:6]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:1]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:2]([CH2:7][CH:8]2[N:9]=[C:10]([c:37]3[cH:38][cH:39][c:40]([NH:43][C:44]([C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[n:41][cH:42]3)[c:11]3[c:12]([cH:17][cH:18][c:19]([Cl:21])[cH:20]3)[N:13]([CH3:16])[C:14]2=[O:15])[cH:3][cH:4][cH:5][cH:6]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 574164182,2-Dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamideHCID 67283973HCID 67283973, compound

Product 1

HCID 67282367HCID 67282367, compound

Sources & evidence

ORD record
ord-1a36b34bbd41433aa715665b4b05bb59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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