Acetic Acid → HCID 178473443, compound

HRID 1239908Notes

Reaction equation

HRID 1239908 reaction equation
[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:59][C:60](=[O:61])[OH:62].[CH3:65][CH2:66][OH:67].[H:63][H:64].[OH-:73].[OH-:75].[Pd+2:74].[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][n:14]([CH:34]4[CH:35]([OH:52])[CH:36]([OH:51])[CH:37]([NH:39][C:40]([CH:41]([CH3:42])[O:43][c:44]5[cH:45][cH:46][cH:47][cH:48][cH:49]5)=[O:50])[CH2:38]4)[c:15]3[n:16][c:17]([N:19]3[CH2:20][CH:21]([NH:24][C:25](=[O:26])[NH:27][c:28]4[cH:29][n:30][cH:31][cH:32][cH:33]4)[CH2:22][CH2:23]3)[n:18]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][n:14]([CH:34]4[CH:35]([OH:52])[CH:36]([OH:51])[CH:37]([NH:39][C:40]([CH:41]([CH3:42])[OH:43])=[O:50])[CH2:38]4)[c:15]3[n:16][c:17]([N:19]3[CH2:20][CH:21]([NH:24][C:25](=[O:26])[NH:27][c:28]4[cH:29][n:30][cH:31][cH:32][cH:33]4)[CH2:22][CH2:23]3)[n:18]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 961Hydroxide2×HCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178418361HCID 178418361, compoundHCID 178466187HCID 178466187, compound

Product 1

HCID 178473443HCID 178473443, compound

Sources & evidence

ORD record
ord-a0cd9fe2a66a4b9ebc3c8f5e31b1a4f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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