Acetic Acid → 197915-50-7

HRID 686639Notes

Reaction equation

HRID 686639 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([S:14][C:15]2=[C:16]([OH:37])[CH2:17][C:18]([CH:22]([CH3:23])[CH3:24])([CH2:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[CH3:36])[cH:31][cH:32]3)[O:19][C:20]2=[O:21])[cH:7][c:8]([CH3:13])[c:9]([CH2:11][OH:12])[cH:10]1.[CH2:39]([OH:40])[CH3:41].[CH3:44][C:45](=[O:46])[OH:47].[Na+:43].[OH-:42].[OH2:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([S:14][C:15]2=[C:16]([OH:37])[CH2:17][C:18]([CH:22]([CH3:23])[CH3:24])([CH2:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]3)[O:19][C:20]2=[O:21])[cH:7][c:8]([CH3:13])[c:9]([CH2:11][OH:12])[cH:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 54686896HCID 54686896, compound

Product 1

HCID 54676890197915-50-7

Sources & evidence

ORD record
ord-46f00bd92e254deda2ef9d052318a59d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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