Acetic Acid → HCID 178475508, compound

HRID 209142Notes

Reaction equation

HRID 209142 reaction equation
[CH3:1][S:2]([O:3][CH:6]1[CH:7]([O:4][S:5]([CH3:33])(=[O:34])=[O:35])[CH:8]2[CH:9]3[CH2:10][CH2:11][C:12]([C:13]([CH3:14])=[O:15])([O:29][C:30]([CH3:31])=[O:32])[C:16]3([CH3:28])[CH2:17][CH2:18][CH:19]2[C:20]2([CH3:27])[CH2:21][CH2:22][C:23](=[O:26])[CH:24]=[C:25]12)(=[O:36])=[O:37].[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][OH:47].[N-:39]=[N+:40]=[N-:41].[Na+:38]>>[C:6]1([N:39]=[N+:40]=[N-:41])=[CH:7][CH:8]2[CH:9]3[CH2:10][CH2:11][C:12]([C:13]([CH3:14])=[O:15])([O:29][C:30]([CH3:31])=[O:32])[C:16]3([CH3:28])[CH2:17][CH2:18][CH:19]2[C:20]2([CH3:27])[CH2:21][CH2:22][C:23](=[O:26])[CH:24]=[C:25]12

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 33558AzideHCID 178475513HCID 178475513, compound

Product 1

HCID 178475508HCID 178475508, compound

Sources & evidence

ORD record
ord-9bd75c0398ee4e89a94e4407f9562e0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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