Acetate → HCID 178460150, compound

HRID 2139220Notes

Reaction equation

HRID 2139220 reaction equation
[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[CH:6]1[C:7](=[O:24])[CH2:8][CH:9]([CH2:17][CH2:18][CH:19]2[S:20][CH2:21][CH2:22][S:23]2)[CH:10]([C:13](=[O:14])[O:15][CH3:16])[C:11]1=[O:12].[CH2:26]([CH:27]=[CH2:28])[O:29][NH3+:30].[CH3:31][CH2:32][OH:33].[CH3:35][C:36](=[O:37])[O-:38].[Cl-:25].[Na+:34]>>[C:1]([CH2:2][CH2:3][CH3:4])(=[C:6]1[C:7](=[O:24])[CH2:8][CH:9]([CH2:17][CH2:18][CH:19]2[S:20][CH2:21][CH2:22][S:23]2)[CH:10]([C:13](=[O:14])[O:15][CH3:16])[C:11]1=[O:12])[NH:30][O:29][CH2:26][CH:27]=[CH2:28]

Participants

7

Reactant 6

HCID 175AcetateHCID 312ChlorideHCID 702EthanolHCID 923Sodium ionHCID 18807555HCID 18807555, compoundHCID 20475565HCID 20475565, compound

Product 1

HCID 178460150HCID 178460150, compound

Sources & evidence

ORD record
ord-ccb1673d87074704806d473d183bd263
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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