Acetonitrile → 4-(2,6-Difluoro-4-nitrophenyl)thiomorpholine

HRID 202136Notes

Reaction equation

HRID 202136 reaction equation
[CH2:22]1[CH2:23][S:24][CH2:25][CH2:26][NH:27]1.[CH3:28][C:29]#[N:30].[CH:13]([N:14]([CH2:15][CH3:16])[CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[F:1][c:2]1[cH:3][c:4]([N+:10](=[O:11])[O-:12])[cH:5][c:6]([F:9])[c:7]1[F:8]>>[F:1][c:2]1[cH:3][c:4]([N+:10](=[O:11])[O-:12])[cH:5][c:6]([F:9])[c:7]1[N:27]1[CH2:22][CH2:23][S:24][CH2:25][CH2:26]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 67164ThiomorpholineHCID 81531DiisopropylethylamineHCID 27827931,2,3-Trifluoro-5-nitrobenzene

Product 1

HCID 120965924-(2,6-Difluoro-4-nitrophenyl)thiomorpholine

Sources & evidence

ORD record
ord-bc886cc44c0e4daeb26319fcc1b4024e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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