Acetate → HCID 178459519, compound

HRID 1120367Notes

Reaction equation

HRID 1120367 reaction equation
[C:1]([OH:2])(=[O:3])[C:4]([OH:5])=[O:6].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([CH2:13][N:14]([CH:15]1[CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[CH2:23]1)[C:24]([CH:25]([NH2:26])[CH3:27])=[O:28])=[O:29].[CH3:31][C:32](=[O:33])[O-:34].[CH3:35][C:36](=[O:37])[OH:38].[CH3:55][CH2:56][OH:57].[Na+:30].[O:39]=[C:40]([C:41](=[O:42])[O:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([CH2:13][N:14]([CH:15]1[CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[CH2:23]1)[C:24]([CH:25]([NH:26][CH:40]([C:41](=[O:42])[O:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH3:27])=[O:28])=[O:29]

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 971Oxalic AcidHCID 13132301HCID 13132301, compoundHCID 178465349HCID 178465349, compound

Product 1

HCID 178459519HCID 178459519, compound

Sources & evidence

ORD record
ord-1b84e18355ca48819333790178098fee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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