Acetate → HCID 178473224, compound

HRID 1231863Notes

Reaction equation

HRID 1231863 reaction equation
[C:73]([O-:74])(=[O:75])[CH3:76].[C:78]([O-:79])(=[O:80])[CH3:81].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:55][CH3:56])[CH2:8][CH:9]([NH:24][CH:25]([c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[c:40]2[n:41][cH:42][c:43]([N:46]3[CH2:47][CH2:48][N:49]([C:52]([CH3:53])=[O:54])[CH2:50][CH2:51]3)[cH:44][n:45]2)[c:10]2[n:11][c:12]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[cH:13][cH:14][c:15]21.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:64]([OH:65])=[O:66].[OH2:67].[Pd+2:77]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:55][CH3:56])[CH2:8][CH:9]([NH:24][CH:25]([c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[c:40]2[n:41][cH:42][c:43]([N:46]3[CH2:47][CH2:48][N:49]([C:52]([CH3:53])=[O:54])[CH2:50][CH2:51]3)[cH:44][n:45]2)[c:10]2[n:11][cH:12][cH:13][cH:14][c:15]21

Participants

9

Reactant 8

HCID 175Acetate2×HCID 284Formic AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178473296HCID 178473296, compound

Product 1

HCID 178473224HCID 178473224, compound

Sources & evidence

ORD record
ord-d2792cd2a58148a481bf03518c01edad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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