Acetic Acid → HCID 58505643, compound

HRID 299997Notes

Reaction equation

HRID 299997 reaction equation
[C:44]([OH:45])(=[O:46])[CH3:47].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([CH2:35][C:36]([C:37](=[O:38])[O:39][CH2:40][CH3:41])([CH3:42])[CH3:43])[c:12]([C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[c:13]3[cH:14][c:15]([O:19][CH2:20][c:21]4[n:22][c:23]([O:27][CH3:28])[cH:24][cH:25][cH:26]4)[cH:16][cH:17][n:18]23)[cH:6][cH:7]1.[Na+:54].[OH-:53]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH3:42])[CH3:43])[c:12]([C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[c:13]3[cH:14][c:15]([O:19][CH2:20][c:21]4[n:22][c:23]([O:27][CH3:28])[cH:24][cH:25][cH:26]4)[cH:16][cH:17][n:18]23)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 58505712HCID 58505712, compound

Product 1

HCID 58505643HCID 58505643, compound

Sources & evidence

ORD record
ord-34ecf69f08734e70b858776af29426a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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