Acetic Acid → HCID 178475903, compound

HRID 1128111Notes

Reaction equation

HRID 1128111 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:40][C:41]([CH3:42])=[O:43])[CH:7]([O:36][C:37]([CH3:38])=[O:39])[CH:8]([CH2:31][O:32][C:33]([CH3:34])=[O:35])[CH:9]([O:27][C:28]([CH3:29])=[O:30])[CH:10]1[c:11]1[cH:12][c:13]([CH2:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][CH3:26])[cH:23][cH:24]2)[c:14]([Cl:17])[cH:15][cH:16]1.[CH3:44][C:45]([OH:46])=[O:47].[OH2:48]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:40][C:41]([CH3:42])=[O:43])[CH:7]([O:36][C:37]([CH3:38])=[O:39])[CH:8]([CH2:31][O:32][C:33]([CH3:34])=[O:35])[CH:9]([O:27][C:28]([CH3:29])=[O:30])[CH:10]1[c:11]1[cH:12][c:13]([CH2:18][c:19]2[cH:20][cH:21][c:22]([C:25]([CH3:26])=[O:46])[cH:23][cH:24]2)[c:14]([Cl:17])[cH:15][cH:16]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 178436147HCID 178436147, compound

Product 1

HCID 178475903HCID 178475903, compound

Sources & evidence

ORD record
ord-5fa579b3999246c481b208bf9a608460
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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