Acetic Acid → HCID 178421789, compound

HRID 1144356Notes

Reaction equation

HRID 1144356 reaction equation
[BrH:1].[CH3:2][S:3]([O:4][CH:7]1[CH:8]([O:5][S:6]([CH3:32])(=[O:33])=[O:34])[CH:9]2[CH:10]3[CH2:11][C:12](=[CH2:31])[C:13]([C:14]([CH3:15])=[O:16])([OH:30])[C:17]3([CH3:29])[CH2:18][CH2:19][CH:20]2[C:21]2([CH3:28])[CH2:22][CH2:23][C:24](=[O:27])[CH:25]=[C:26]12)(=[O:35])=[O:36].[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[N-:38]=[N+:39]=[N-:40].[Na+:37]>>[C:7]1([N:38]=[N+:39]=[N-:40])=[CH:8][CH:9]2[CH:10]3[CH2:11][C:12](=[CH2:31])[C:13]([C:14]([CH3:15])=[O:16])([OH:30])[C:17]3([CH3:29])[CH2:18][CH2:19][CH:20]2[C:21]2([CH3:28])[CH2:22][CH2:23][C:24](=[O:27])[CH:25]=[C:26]12

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 923Sodium ionHCID 6228DimethylformamideHCID 33558AzideHCID 178421790HCID 178421790, compound

Product 1

HCID 178421789HCID 178421789, compound

Sources & evidence

ORD record
ord-1b9db13ac81c40e88b0644aa8a985d0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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