Ammonium → Ethyl 4-amino-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate

HRID 1234322Notes

Reaction equation

HRID 1234322 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[CH:7][CH:8]([O:26][CH:27]([CH2:28][CH3:29])[CH2:30][CH3:31])[CH:9]([NH:17][P:18]([O:19][CH2:20][CH3:21])([O:22][CH2:23][CH3:24])=[O:25])[CH:10]([O:12][S:13](=[O:14])(=[O:15])[CH3:16])[CH2:11]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH3:48][CH2:49][OH:50].[NH4+:40].[Na+:38].[OH-:37].[OH-:39].[OH2:47].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[CH:7][CH:8]([O:26][CH:27]([CH2:28][CH3:29])[CH2:30][CH3:31])[CH:9]([NH2:17])[CH:10]([O:12][S:13](=[O:14])(=[O:15])[CH3:16])[CH2:11]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 702EthanolHCID 923Sodium ionHCID 961Hydroxide2×HCID 962WaterHCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 74955391Ethyl 4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate

Product 1

HCID 76628142Ethyl 4-amino-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate

Sources & evidence

ORD record
ord-2343f607ca214bae8b9a6222a59ec930
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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