Acetonitrile → HCID 178501843, compound

HRID 2338420Notes

Reaction equation

HRID 2338420 reaction equation
[CH3:34][C:35]#[N:36].[Li+:26].[O:1]=[S:2]1(=[O:17])[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:16])[cH:10][c:11]([NH2:12])[cH:13][c:14]2[F:15])[CH2:6][CH2:7]1.[O:27]1[CH:28]([C:29](=[O:30])[O:31][CH3:32])[CH2:33]1.[S:18]([O-:19])([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25]>>[O:1]=[S:2]1(=[O:17])[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:16])[cH:10][c:11]([NH:12][CH2:33][CH:28]([OH:27])[C:29](=[O:30])[O:31][CH3:32])[cH:13][c:14]2[F:15])[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 28486Lithium ionHCID 145751Methyl oxirane-2-carboxylateHCID 2758875TrifluoromethanesulfonateHCID 98999344-(4-Amino-2,6-difluorophenyl)-1lambda~6~,4-thiazinane-1,1-dione

Product 1

HCID 178501843HCID 178501843, compound

Sources & evidence

ORD record
ord-957b22eacf0646bc83a319035f4505c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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