Acetic Acid → Thiomorpholine, 4-(2,6-difluoro-4-nitrophenyl)-, 1,1-dioxide

HRID 1122805Notes

Reaction equation

HRID 1122805 reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[F:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][S:12](=[O:15])(=[O:16])[CH2:13][CH2:14]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[OH2:21].[OH:17][N+:18]([O-:19])=[O:20]>>[F:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][S:12](=[O:15])(=[O:16])[CH2:13][CH2:14]2)[c:4]([F:8])[cH:5][c:6]([N+:18](=[O:17])[O-:19])[cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 9921212THIOMORPHOLINE, 4-(2,6-DIFLUOROPHENYL)-, 1,1-DIOXIDE

Product 1

HCID 9922094Thiomorpholine, 4-(2,6-difluoro-4-nitrophenyl)-, 1,1-dioxide

Sources & evidence

ORD record
ord-321a950a758543e4bb51f762d6cab69e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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