Acetic Acid → HCID 53656302, compound

HRID 2160726Notes

Reaction equation

HRID 2160726 reaction equation
[Br-:32].[CH3:42][C:43](=[O:44])[OH:45].[Cl-:40].[N+:1](=[O:2])([O-:3])[CH2:4][CH:5]1[CH:6]([CH:23]=[CH:24][C:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])=[O:31])[CH:7]([CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[C:8]2([O:9][CH2:10][CH2:11][O:12]2)[CH2:13]1.[NH4+:41].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[c:33]1([Mg+:39])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[N+:1](=[O:2])([O-:3])[CH2:4][CH:5]1[CH:6]([CH:23]=[CH:24][C:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])([OH:31])[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH:7]([CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[C:8]2([O:9][CH2:10][CH2:11][O:12]2)[CH2:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 8028TetrahydrofuranHCID 70607475HCID 70607475, compoundHCID 178507002HCID 178507002, compound

Product 1

HCID 53656302HCID 53656302, compound

Sources & evidence

ORD record
ord-d43caa7427e6482bbe1063bf868dfdc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…