Acetic Acid → HCID 18173077, compound

HRID 2126466Notes

Reaction equation

HRID 2126466 reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[NH2:26][O:27][S:28]([OH:29])(=[O:30])=[O:31].[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[O:1]=[C:2]1[CH:3]2[CH:4]([c:9]3[n:10][c:11]4[n:12]([CH2:23][CH2:24][CH3:25])[c:13](=[O:22])[n:14]([CH2:19][CH2:20][CH3:21])[c:15](=[O:18])[c:16]4[nH:17]3)[CH:5]3[CH:6]([CH:7]13)[CH2:8]2>>[O:1]=[C:2]1[CH:7]2[CH:5]3[CH:4]([c:9]4[n:10][c:11]5[n:12]([CH2:23][CH2:24][CH3:25])[c:13](=[O:22])[n:14]([CH2:19][CH2:20][CH3:21])[c:15](=[O:18])[c:16]5[nH:17]4)[CH:3]([CH2:8][CH:6]32)[NH:26]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 76284hydroxylamine-O-sulfonic acidHCID 18173123HCID 18173123, compound

Product 1

HCID 18173077HCID 18173077, compound

Sources & evidence

ORD record
ord-9dd1c74a0c5d4494970c88145185c2b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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