Ethanol → HCID 20161746, compound

HRID 177132Notes

Reaction equation

HRID 177132 reaction equation
[CH3:29][CH2:30][OH:31].[CH3:8][C:9]([C:10]#[N:11])([CH3:12])[c:13]1[cH:14][c:15]([N+:20](=[O:21])[O-:22])[c:16]([Br:19])[cH:17][cH:18]1.[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[SH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[S:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:16]1[c:15]([N+:20](=[O:21])[O-:22])[cH:14][c:13]([C:9]([CH3:8])([C:10]#[N:11])[CH3:12])[cH:18][cH:17]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ion2×HCID 7969ThiophenolHCID 19660Carbonate IonHCID 20161764Benzeneacetonitrile, 4-bromo-α,α-dimethyl-3-nitro-

Product 1

HCID 20161746HCID 20161746, compound

Sources & evidence

ORD record
ord-91e67a875b1e402f87534a07a0125ddc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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