Acetate → HCID 57714110, compound

HRID 213920Notes

Reaction equation

HRID 213920 reaction equation
[CH3:1][C:2]([CH2:3][N:4]([c:5]1[n:6][c:7]([C:11]#[N:12])[n:8][cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([I:20])[cH:18][cH:19]1)([CH3:21])[CH3:22].[CH3:23][n:24]1[cH:25][n:26][cH:27][cH:28]1.[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:48].[Pd+2:54].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH3:1][C:2]([CH2:3][N:4]([c:5]1[n:6][c:7]([C:11]#[N:12])[n:8][cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:28]2[n:24]([CH3:23])[cH:25][n:26][cH:27]2)[cH:18][cH:19]1)([CH3:21])[CH3:22]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 13901-MethylimidazoleHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 44450361HCID 44450361, compound

Product 1

HCID 57714110HCID 57714110, compound

Sources & evidence

ORD record
ord-fae089c361d6424d973f2110a8b1dd94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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