Acetate → HCID 24986680, compound

HRID 2140414Notes

Reaction equation

HRID 2140414 reaction equation
[C:38]([P:39]([C:40]([CH3:41])([CH3:42])[CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1-[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)([CH3:56])([CH3:57])[CH3:58].[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[s:9][c:10]3[c:16]([n:17]2)[CH2:15][C:14]([CH3:18])([CH3:19])[CH2:13][NH:12][C:11]3=[O:20])[cH:7]1.[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH3:29])[cH:30][cH:31]1.[Na+:37].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[O:75]1[CH2:76][CH2:77][O:78][CH2:79][CH2:80]1.[Pd+2:66]>>[c:2]1([NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH3:29])[cH:30][cH:31]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[s:9][c:10]3[c:16]([n:17]2)[CH2:15][C:14]([CH3:18])([CH3:19])[CH2:13][NH:12][C:11]3=[O:20])[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2355164-Amino-N-methylbenzamideHCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 24986679HCID 24986679, compound

Product 1

HCID 24986680HCID 24986680, compound

Sources & evidence

ORD record
ord-25f8d48af56e404f955b10525200a5b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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