Acetate → HCID 178435758, compound

HRID 1122631Notes

Reaction equation

HRID 1122631 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[C:52]12([P:53]([C:54]34[CH2:55][CH:56]5[CH2:57][CH:58]([CH2:59][CH:60]([CH2:61]5)[CH2:62]3)[CH2:63]4)[CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH:69]3[CH2:70][CH:71]([CH2:72][CH:73]([CH2:74]3)[CH2:75]1)[CH2:76]2.[CH2:31]([CH2:32][CH2:44][CH3:45])[Sn:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH:42]=[CH2:43].[CH3:77][N:78]1[CH2:79][CH2:80][CH2:81][C:82]1=[O:83].[Na+:50].[Na+:51].[O-:85][C:86]([CH3:87])=[O:88].[O-:89][C:90]([CH3:91])=[O:92].[Pd+2:84].[n:1]1[cH:2][n:3][c:4]2[nH:5][cH:6][n:7][c:8]2[c:9]1[NH:10][CH:11]([CH3:12])[c:13]1[n:14](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:15](=[O:24])[c:16]2[c:17]([Cl:23])[cH:18][cH:19][cH:20][c:21]2[cH:22]1>>[n:1]1[cH:2][n:3][c:4]2[nH:5][cH:6][n:7][c:8]2[c:9]1[NH:10][CH:11]([CH3:12])[c:13]1[n:14](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:15](=[O:24])[c:16]2[c:17]([CH:31]=[CH2:32])[cH:18][cH:19][cH:20][c:21]2[cH:22]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 81998TributylvinyltinHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11371790Bis(adamantan-1-yl)(butyl)phosphaneHCID 178463519HCID 178463519, compound

Product 1

HCID 178435758HCID 178435758, compound

Sources & evidence

ORD record
ord-91225a80672a4d4d8a94242c8138444f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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