Acetic Acid → HCID 178451138, compound

HRID 156954Notes

Reaction equation

HRID 156954 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([C:9](=[O:10])[OH:11])[CH2:12][S:13][CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][cH:29][cH:30][c:31]4[c:32]3[o:33][c:34]3[c:35]4[cH:36][cH:37][cH:38][cH:39]3)[cH:25][cH:26]2)[cH:19][cH:20]1.[CH3:40][C:41]([OH:42])=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([C:9](=[O:10])[OH:11])[CH2:12][S:13]([CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][cH:29][cH:30][c:31]4[c:32]3[o:33][c:34]3[c:35]4[cH:36][cH:37][cH:38][cH:39]3)[cH:25][cH:26]2)[cH:19][cH:20]1)=[O:42]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 68818685HCID 68818685, compound

Product 1

HCID 178451138HCID 178451138, compound

Sources & evidence

ORD record
ord-025f035595df4067b8bda135ca4b57a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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