Acetic Acid → HCID 178442618, compound

HRID 317139Notes

Reaction equation

HRID 317139 reaction equation
[CH3:1][S:2]([O:3][CH:6]1[CH:7]([O:4][S:5]([CH3:34])(=[O:35])=[O:36])[CH:8]2[CH:9]3[CH2:10][CH2:11][CH:12]([CH:13]([CH2:14][CH2:15][CH2:16][CH:17]([CH3:18])[CH3:19])[CH3:20])[C:21]3([CH3:33])[CH2:22][CH2:23][CH:24]2[C:25]2([CH3:32])[CH2:26][CH2:27][C:28](=[O:31])[CH:29]=[C:30]12)(=[O:37])=[O:38].[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][OH:48].[N-:40]=[N+:41]=[N-:42].[Na+:39]>>[C:6]1([N:40]=[N+:41]=[N-:42])=[CH:7][CH:8]2[CH:9]3[CH2:10][CH2:11][CH:12]([CH:13]([CH2:14][CH2:15][CH2:16][CH:17]([CH3:18])[CH3:19])[CH3:20])[C:21]3([CH3:33])[CH2:22][CH2:23][CH:24]2[C:25]2([CH3:32])[CH2:26][CH2:27][C:28](=[O:31])[CH:29]=[C:30]12

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 33558AzideHCID 178442619HCID 178442619, compound

Product 1

HCID 178442618HCID 178442618, compound

Sources & evidence

ORD record
ord-aad5a77f086645e1bad452f35e171c26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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