Acetate → HCID 87439726, compound

HRID 1136845Notes

Reaction equation

HRID 1136845 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([N:12]1[C:13](=[O:29])[c:14]3[cH:15][cH:16][c:17]([O:22][CH2:23][CH:24]4[O:25][CH2:26][CH2:27][CH2:28]4)[cH:18][c:19]3[CH2:20][CH2:21]1)[CH2:6][CH2:5]2.[CH2:30]([P:31]([C:32]12[CH2:33][CH:34]3[CH2:35][CH:36]([CH2:37][CH:38]([CH2:39]3)[CH2:40]1)[CH2:41]2)[C:42]12[CH2:43][CH:44]3[CH2:45][CH:46]([CH2:47][CH:48]([CH2:49]3)[CH2:50]1)[CH2:51]2)[CH2:52][CH2:53][CH3:54].[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][N:60]([CH3:61])[CH3:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[Pd+2:76]>>[c:2]1([CH:71]=[O:72])[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([N:12]1[C:13](=[O:29])[c:14]3[cH:15][cH:16][c:17]([O:22][CH2:23][CH:24]4[O:25][CH2:26][CH2:27][CH2:28]4)[cH:18][c:19]3[CH2:20][CH2:21]1)[CH2:6][CH2:5]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1140TolueneHCID 8037N,N,N',N'-TetramethylethylenediamineHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11371790Bis(adamantan-1-yl)(butyl)phosphaneHCID 67546189HCID 67546189, compound

Product 1

HCID 87439726HCID 87439726, compound

Sources & evidence

ORD record
ord-e80504b002ae41cea63bb07def71d175
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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