Water → HCID 21086214, compound

HRID 111161Notes

Reaction equation

HRID 111161 reaction equation
[NH2:1][C:2]1=[C:7]([C:8]([CH2:9][CH2:10][CH3:11])=[O:12])[CH2:6][C:5]([C:13](=[O:14])[O:15][CH3:16])([OH:17])[CH:4]=[CH:3]1.[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH2:18].[OH2:35].[c:19]1([CH3:20])[cH:21][cH:22][c:23]([S:24]([OH:25])(=[O:26])=[O:27])[cH:28][cH:29]1>>[C:2]1(=[O:26])[CH:3]=[CH:4][C:5]([C:13](=[O:14])[O:15][CH3:16])([OH:17])[CH2:6][CH:7]1[C:8]([CH2:9][CH2:10][CH3:11])=[O:12]

Participants

5

Reactant 4

HCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 21086195Methyl 4-amino-5-butyryl-1-hydroxycyclohexa-2,4-diene-1-carboxylate

Product 1

HCID 21086214HCID 21086214, compound

Sources & evidence

ORD record
ord-be6d39d605e3488cab5f268d8689203c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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