Acetic Acid → HCID 59428113, compound

HRID 177964Notes

Reaction equation

HRID 177964 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][n:9](-[c:11]2[n:12][cH:13][c:14]([Cl:31])[cH:15][c:16]2[NH:17][S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]2)[cH:10]1.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][C:40](=[O:41])[OH:42].[Na+:33].[OH-:32]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][n:8][n:9](-[c:11]2[n:12][cH:13][c:14]([Cl:31])[cH:15][c:16]2[NH:17][S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]2)[cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 25134467HCID 25134467, compound

Product 1

HCID 59428113HCID 59428113, compound

Sources & evidence

ORD record
ord-c31179ee64e54e8f9c66e032227b64a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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