Acetate → HCID 66712324, compound

HRID 151630Notes

Reaction equation

HRID 151630 reaction equation
[Br:26][c:27]1[cH:28][c:29]2[cH:30][n:31][c:32]([NH:36][c:37]3[cH:38][cH:39][c:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[cH:41][cH:42]3)[n:33][n:34]2[cH:35]1.[C:81]([O-:82])(=[O:83])[CH3:84].[C:86]([O-:87])(=[O:88])[CH3:89].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH3:50][C:51]1([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56][B:57]([c:58]2[c:59]([O:60][CH2:61][C:62]#[N:63])[cH:64][cH:65][cH:66][cH:67]2)[O:68]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:90][CH2:91][O:92][CH2:93][CH3:94].[Na+:74].[Na+:75].[O-:76][C:77](=[O:78])[O-:79].[OH2:80].[Pd+2:85].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:27]1(-[c:58]2[c:59]([O:60][CH2:61][C:62]#[N:63])[cH:64][cH:65][cH:66][cH:67]2)[cH:28][c:29]2[cH:30][n:31][c:32]([NH:36][c:37]3[cH:38][cH:39][c:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[cH:41][cH:42]3)[n:33][n:34]2[cH:35]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 17998915[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrileHCID 66712235HCID 66712235, compound

Product 1

HCID 66712324HCID 66712324, compound

Sources & evidence

ORD record
ord-03d59fc7b55c46d0b57add0d3daa1072
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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