Sodium ion → 2-(2-Ethylsulfanyl-1-methoxy-1-methyl-ethyl)-5-nitro-6-trifluoromethyl-1H-indole

HRID 161744Notes

Reaction equation

HRID 161744 reaction equation
[CH2:1]([CH3:2])[S:3][CH2:4][C:5]([CH3:6])([O:7][CH3:8])[c:9]1[n:10]([S:25]([CH3:26])(=[O:27])=[O:28])[c:11]2[cH:12][c:13]([C:21]([F:22])([F:23])[F:24])[c:14]([N+:18](=[O:19])[O-:20])[cH:15][c:16]2[cH:17]1.[Na+:30].[OH-:29]>>[CH2:1]([CH3:2])[S:3][CH2:4][C:5]([CH3:6])([O:7][CH3:8])[c:9]1[nH:10][c:11]2[cH:12][c:13]([C:21]([F:22])([F:23])[F:24])[c:14]([N+:18](=[O:19])[O-:20])[cH:15][c:16]2[cH:17]1

Participants

4

Reactant 3

HCID 923Sodium ionHCID 961HydroxideHCID 116263392-(2-ethylsulfanyl-1-methoxy-1-methyl-ethyl)-1-methanesulfonyl-5-nitro-6-trifluoromethyl-1H-indole

Product 1

HCID 115450402-(2-Ethylsulfanyl-1-methoxy-1-methyl-ethyl)-5-nitro-6-trifluoromethyl-1H-indole

Sources & evidence

ORD record
ord-d7ba3dbb35ca47d4925cfe86b15a8848
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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