Acetate → HCID 70126280, compound

HRID 2328560Notes

Reaction equation

HRID 2328560 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:8])[cH:5][cH:6][cH:7]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:61][C:62]#[N:63].[CH3:9][N:10]([CH:11]([CH3:12])[CH2:13][CH:14]=[CH2:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[Pd+2:52].[c:23]1([CH3:24])[cH:25][cH:26][cH:27][cH:28][c:29]1[P:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[CH3:44]>>[c:2]1([CH:15]=[CH:14][CH2:13][CH:11]([N:10]([CH3:9])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH3:12])[cH:3][c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 140821-Bromo-3-fluorobenzeneHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 15546849N-methyl-N-(tert-butoxycarbonyl)-4-penten-2-amine

Product 1

HCID 70126280HCID 70126280, compound

Sources & evidence

ORD record
ord-488cd6b48aef4abf937064d1628d388f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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