Potassium Cation → HCID 18917678, compound

HRID 102387Notes

Reaction equation

HRID 102387 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:11]([s:12]1)-[n:10]1[c:9]([n:15][n:14][c:13]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[CH2:8][N:7]=[C:6]2[c:33]1[cH:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]1.[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[K+:53].[K+:54].[N:45]([O-:46])=[O:47].[Na+:48].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH2:55].[S:40]([OH:41])(=[O:42])(=[O:43])[OH:44]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:6]([c:33]2[cH:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]2)=[O:41])[c:11](-[n:10]2[c:9]([CH2:8][OH:55])[n:15][n:14][c:13]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[s:12]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 8058HexaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 18917587HCID 18917587, compound

Product 1

HCID 18917678HCID 18917678, compound

Sources & evidence

ORD record
ord-3b43d3651e4b447cadf5e5f53d5cc53a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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