Acetic Acid → HCID 178502510, compound

HRID 1215205Notes

Reaction equation

HRID 1215205 reaction equation
[CH3:1][O:2][C:3](=[O:4])[NH:5][C:6](=[NH:7])[c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH:22]3[CH2:23][CH:24]([CH2:28][C:29](=[O:30])[O:31][CH3:32])[C:25](=[O:27])[NH:26]3)[cH:18][cH:19]2)[cH:12][cH:13]1.[CH3:35][C:36](=[O:37])[OH:38].[Na+:34].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:33].[OH2:44]>>[CH3:1][O:2][C:3](=[O:4])[NH:5][C:6](=[NH:7])[c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH:22]3[CH2:23][CH:24]([CH2:28][C:29](=[O:30])[OH:31])[C:25](=[O:27])[NH:26]3)[cH:18][cH:19]2)[cH:12][cH:13]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 146157313HCID 146157313, compound

Product 1

HCID 178502510HCID 178502510, compound

Sources & evidence

ORD record
ord-9a7bf2dba33749e79bb7419b060d9e70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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