Acetic Acid → HCID 178447425, compound

HRID 144471Notes

Reaction equation

HRID 144471 reaction equation
[CH3:29][S:30](=[O:31])[CH3:32].[CH3:33][O-:34].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH3:71][C:72](=[O:73])[OH:74].[Na+:35].[OH:1][CH2:2][C:3]12[CH2:4][CH2:5][C:6](=[O:28])[CH:7]=[C:8]1[CH:9]=[CH:10][CH:11]1[CH:12]3[CH2:13][CH2:14][CH:15]([O:21][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[C:16]3([CH3:17])[CH2:18][CH2:19][CH:20]21.[OH:36][C:37]1=[CH:63][C:43]2=[CH:44][CH:45]=[C:46]3[CH:47]([C:40]2([CH2:41][OH:42])[CH2:39][CH2:38]1)[CH2:48][CH2:49][C:50]1([CH3:51])[CH:52]3[CH2:53][CH2:54][CH:55]1[O:56][C:57](=[O:58])[C:59]([CH3:60])([CH3:61])[CH3:62]>>[OH:1][CH2:2][C:3]12[CH2:4][CH2:5][C:6](=[O:28])[CH:7]=[C:8]1[CH:9]=[CH:10][C:11]1=[C:12]3[CH2:13][CH2:14][CH:15]([O:21][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[C:16]3([CH3:17])[CH2:18][CH2:19][CH:20]21

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 1140TolueneHCID 3826051MethoxideHCID 178447423HCID 178447423, compoundHCID 178447424HCID 178447424, compound

Product 1

HCID 178447425HCID 178447425, compound

Sources & evidence

ORD record
ord-3c98c0d771c44427942cf240d7065e1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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