Acetic Acid → HCID 66591349, compound

HRID 2158770Notes

Reaction equation

HRID 2158770 reaction equation
[CH3:33][OH:34].[CH3:3][N:4]([C:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])=[O:13])[CH2:14][c:15]1[cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]([CH:26]=[CH:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:24][cH:25]2)[cH:18][s:19]1.[CH3:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][C:47](=[O:48])[OH:49].[Na+:2].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:1].[OH2:40]>>[CH3:3][N:4]([C:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])=[O:13])[CH2:14][c:15]1[cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]([CH:26]=[CH:27][C:28](=[O:29])[OH:30])[cH:24][cH:25]2)[cH:18][s:19]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8003PentaneHCID 8028TetrahydrofuranHCID 66591532HCID 66591532, compound

Product 1

HCID 66591349HCID 66591349, compound

Sources & evidence

ORD record
ord-2f9cb079736b42cb8fd823366b289737
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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