Acetic Acid → HCID 77523112, compound

HRID 2328576Notes

Reaction equation

HRID 2328576 reaction equation
[CH2:18]([CH3:19])[O:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:17])[cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:33][C:34](=[O:35])[OH:36].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[K+:32].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:17])[cH:11][c:12]([CH:13]=[C:21]([O:20][CH2:18][CH3:19])[C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 813Potassium CationHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 69955Ethyl ethoxyacetateHCID 45749132-Methylpropan-2-olateHCID 202986464-(Benzyloxy)-3-methylbenzaldehyde

Product 1

HCID 77523112HCID 77523112, compound

Sources & evidence

ORD record
ord-922e30d8a14045dc8fae817ee4b8dcf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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