Dimethyl Sulfoxide → HCID 178493026, compound

HRID 174503Notes

Reaction equation

HRID 174503 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:19][S:20]([CH3:21])=[O:22].[CH3:1][O:2][c:3]1[c:4]([N+:10](=[O:11])[O-:12])[cH:5][cH:6][c:7]([F:9])[cH:8]1.[CH3:23][CH:24]([CH3:25])[CH:26]1[N:27]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:28][CH2:29][NH:30][CH2:31]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[K+:13].[K+:14].[O-:15][C:16]([O-:17])=[O:18].[OH2:50]>>[CH3:1][O:2][c:3]1[c:4]([N+:10](=[O:11])[O-:12])[cH:5][cH:6][c:7]([N:30]2[CH2:29][CH2:28][N:27]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH:26]([CH:24]([CH3:23])[CH3:25])[CH2:31]2)[cH:8]1

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27792505-Fluoro-2-nitroanisoleHCID 441187971-Boc-2-Isopropylpiperazine

Product 1

HCID 178493026HCID 178493026, compound

Sources & evidence

ORD record
ord-1aac12750d1143c0a30eae1238f4804d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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