Acetate → HCID 67380950, compound

HRID 295661Notes

Reaction equation

HRID 295661 reaction equation
[C:10](=[O:11])([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[N:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[CH3:57][C:58]([CH3:59])([O-:60])[CH3:61].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[CH:23]1([P:24]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2-[c:37]2[c:38]([CH:39]([CH3:40])[CH3:41])[cH:42][c:43]([CH:44]([CH3:45])[CH3:46])[cH:47][c:48]2[CH:49]([CH3:50])[CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:9])[n:6][c:7]1[CH3:8].[Na+:62].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[Pd+2:63]>>[c:2]1([N:20]2[CH2:19][CH2:18][N:17]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:22][CH2:21]2)[n:3][cH:4][c:5]([CH3:9])[n:6][c:7]1[CH3:8]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 45749132-Methylpropan-2-olateHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 116726802-Chloro-3,5-dimethylpyrazine

Product 1

HCID 67380950HCID 67380950, compound

Sources & evidence

ORD record
ord-2639fba622004c529bcea9f305bd9f39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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