Acetic Acid → Acetic Acid

HRID 196342Notes

Reaction equation

HRID 196342 reaction equation
[C:1]([CH3:2])(=[O:3])[OH:4].[CH3:24][CH:25]1[C:26]([CH3:27])([N+:28]([O-:29])=[O:30])[CH2:31][O:32][CH:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[O:40]1.[CH:13]([CH3:14])([CH3:15])[C:16]([CH2:17][OH:18])([CH2:19][OH:20])[N+:21]([O-:22])=[O:23].[NH2:5][C:6]([CH3:7])([CH:8]([OH:9])[CH3:10])[CH2:11][OH:12]>>[C:1]([CH3:2])(=[O:3])[OH:4].[CH:13]([CH3:14])([CH3:15])[C:16]([CH2:17][OH:18])([CH2:19][OH:20])[NH2:21]

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 1438812-Nitro-2-isopropyl-1,3-propanediolHCID 147629592-Amino-2-methylbutane-1,3-diolHCID 178434842HCID 178434842, compound

Product 2

HCID 176Acetic AcidHCID 123392712-Amino-2-isopropylpropane-1,3-diol

Sources & evidence

ORD record
ord-5175b6b826e941c9b3a54f84f4df543b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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