Acetate → HCID 178463525, compound

HRID 183263Notes

Reaction equation

HRID 183263 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[C:44]12([P:45]([C:46]34[CH2:47][CH:48]5[CH2:49][CH:50]([CH2:51][CH:52]([CH2:53]5)[CH2:54]3)[CH2:55]4)[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH:61]3[CH2:62][CH:63]([CH2:64][CH:65]([CH2:66]3)[CH2:67]1)[CH2:68]2.[CH3:31][N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH3:69][N:70]1[CH2:71][CH2:72][CH2:73][C:74]1=[O:75].[Na+:42].[Na+:43].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[Pd+2:76].[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]([N:35]3[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]3)[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 531671-MethylpiperazineHCID 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 178463525HCID 178463525, compound

Sources & evidence

ORD record
ord-77e1ee34e13842afa1880da2d77655fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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