Acetate → HCID 10207712, compound

HRID 135195Notes

Reaction equation

HRID 135195 reaction equation
[C:43]=[O:44].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][OH:42].[CH3:64][N:65]([CH:66]=[O:67])[CH3:68].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([I:22])[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:23])[CH3:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[O-:71][C:72]([CH3:73])=[O:74].[O-:75][C:76]([CH3:77])=[O:78].[OH2:69].[Pd+2:70].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([C:66]([O:42][CH3:41])=[O:67])[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:23])[CH3:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 712FormaldehydeHCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 10231844N-(3,5-Bis-trifluoromethyl-benzyl)-6-iodo-N-methyl-4-o-tolyl-nicotinamide

Product 1

HCID 10207712HCID 10207712, compound

Sources & evidence

ORD record
ord-289511996b1c4cefadc16c5c2d8fd535
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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