Acetate → HCID 76600921, compound

HRID 693837Notes

Reaction equation

HRID 693837 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].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:35][C:36]#[N:37].[CH:23](=[O:24])[CH:25]=[CH2:26].[O-:39][C:40]([CH3:41])=[O:42].[O-:43][C:44]([CH3:45])=[O:46].[OH2:34].[Pd+2:38]>>[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]([CH:26]=[CH:25][CH:23]=[O:24])[cH:18][cH:19]1)([CH3:21])[CH3:22]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 6342AcetonitrileHCID 7847AcroleinHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 44450361HCID 44450361, compound

Product 1

HCID 76600921HCID 76600921, compound

Sources & evidence

ORD record
ord-5d934c38b60f46d2acf089dd5832ca84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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