Acetic Acid → HCID 178473813, compound

HRID 202194Notes

Reaction equation

HRID 202194 reaction equation
[CH3:29][C:30]([OH:31])=[O:32].[CH3:33][C:34]([O:35][C:36](=[O:37])[CH3:38])=[O:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH:1]1([n:7]2[c:8](=[O:28])[n:9]([CH:22]3[CH2:23][NH:24][CH2:25][CH2:26][CH2:27]3)[c:10]([OH:21])[c:11]([C:14](=[O:15])[NH:16][CH2:17][C:18](=[O:19])[OH:20])[c:12]2=[O:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([n:7]2[c:8](=[O:28])[n:9]([CH:22]3[CH2:23][N:24]([C:30]([CH3:29])=[O:31])[CH2:25][CH2:26][CH2:27]3)[c:10]([OH:21])[c:11]([C:14](=[O:15])[NH:16][CH2:17][C:18](=[O:19])[OH:20])[c:12]2=[O:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 178525918HCID 178525918, compound

Product 1

HCID 178473813HCID 178473813, compound

Sources & evidence

ORD record
ord-d6960ea44d2049558a6c21a80190352f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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