Acetic Acid → HCID 178452506, compound

HRID 196709Notes

Reaction equation

HRID 196709 reaction equation
[BrH:43].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:17][N:18]([CH2:19][c:20]2[c:21]([F:27])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[C:28]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[CH2:10][CH:11]([S:13][C:14]([CH3:15])=[O:16])[CH2:12]1.[CH3:44][C:45](=[O:46])[OH:47].[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:17][NH:18][CH2:19][c:20]2[c:21]([F:27])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[CH2:10][CH:11]([S:13][C:14]([CH3:15])=[O:16])[CH2:12]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 90694700HCID 90694700, compound

Product 1

HCID 178452506HCID 178452506, compound

Sources & evidence

ORD record
ord-715b50ccb7434dceb272793c21fcd23b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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