Acetic Acid → HCID 11978048, compound

HRID 2330727Notes

Reaction equation

HRID 2330727 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:28][N:29]2[CH2:30][CH:31]([C:33](=[O:34])[O:35][CH3:36])[CH2:32]2)[s:6][c:7]1-[c:8]1[n:9][o:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([O:19][c:20]3[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]3)[cH:17][cH:18]2)[n:12]1.[CH3:39][C:40](=[O:41])[OH:42].[CH3:55][OH:56].[Na+:38].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH-:37].[OH2:57].[OH:43][C:44]([C:45](=[O:46])[OH:47])=[O:48]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:28][N:29]2[CH2:30][CH:31]([C:33](=[O:34])[OH:35])[CH2:32]2)[s:6][c:7]1-[c:8]1[n:9][o:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([O:19][c:20]3[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]3)[cH:17][cH:18]2)[n:12]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 971Oxalic AcidHCID 312751,4-DioxaneHCID 68524254HCID 68524254, compound

Product 1

HCID 11978048HCID 11978048, compound

Sources & evidence

ORD record
ord-8126656fb9c5497c9aaae2abde3bf465
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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