Acetic Acid → HCID 178454326, compound

HRID 153629Notes

Reaction equation

HRID 153629 reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[N:6]1[CH:7]([C:33](=[O:34])[O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH:8]([CH2:11][c:12]2[cH:13][c:14]([N:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[n:15][cH:16][cH:17]2)[C:9]1=[O:10])([CH3:5])([CH3:43])[CH3:44].[C:59](=[O:60])([OH:61])[O-:62].[CH3:47][C:48](=[O:49])[OH:50].[CH3:51][OH:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[F-:45].[NH4+:46].[Na+:63]>>[NH:6]1[CH:7]([C:33](=[O:34])[O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH:8]([CH2:11][c:12]2[cH:13][c:14]([N:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[n:15][cH:16][cH:17]2)[C:9]1=[O:10]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 28179Fluoride IonHCID 178454328HCID 178454328, compound

Product 1

HCID 178454326HCID 178454326, compound

Sources & evidence

ORD record
ord-d919a399fa844e38a50ceafa1b3a16fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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