Acetic Acid → HCID 21438557, compound

HRID 662364Notes

Reaction equation

HRID 662364 reaction equation
[Br-:24].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[CH:8]([CH3:9])[CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]2)[cH:19][c:20]([O:21][CH3:22])[cH:23]1.[CH3:25][Mg+:26].[CH3:29][O:30][c:31]1[cH:32][c:33]([C:39]([CH3:40])([CH:41]([CH2:42][CH2:43][c:44]2[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]2)[CH3:51])[OH:52])[cH:34][c:35]([O:37][CH3:38])[cH:36]1.[CH3:58][C:59](=[O:60])[OH:61].[Cl-:27].[NH4+:28].[Pd:62].[S:53](=[O:54])(=[O:55])([OH:56])[OH:57]>>[CH3:29][O:30][c:31]1[cH:32][c:33]([CH:39]([CH3:40])[CH:41]([CH2:42][CH2:43][c:44]2[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]2)[CH3:51])[cH:34][c:35]([O:37][CH3:38])[cH:36]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 1118Sulfuric AcidHCID 23938PalladiumHCID 21438552HCID 21438552, compoundHCID 21438571HCID 21438571, compoundHCID 178477777HCID 178477777, compound

Product 1

HCID 21438557HCID 21438557, compound

Sources & evidence

ORD record
ord-808451e2fbd9458c85edf3210edb9049
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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