Acetone → HCID 14995282, compound

HRID 153714Notes

Reaction equation

HRID 153714 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[C:32](#[N:33])[c:34]1[o:35][c:36]2[c:37]([n:38]1)[cH:39][cH:40][c:41]([CH2:43][Br:44])[cH:42]2.[CH3:45][C:46](=[O:47])[CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[K+:30].[K+:31].[Na+:25].[OH2:1].[OH2:2].[OH2:3].[OH2:4].[OH2:5].[n:6]1[c:7]([CH2:16][O:17][c:18]2[cH:19][c:20]([O-:21])[cH:22][cH:23][cH:24]2)[cH:8][cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12>>[n:6]1[c:7]([CH2:16][O:17][c:18]2[cH:19][c:20]([O:21][CH2:43][c:41]3[cH:40][cH:39][c:37]4[c:36]([o:35][c:34]([C:32]#[N:33])[n:38]4)[cH:42]3)[cH:22][cH:23][cH:24]2)[cH:8][cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12

Participants

9

Reactant 8

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962Water5×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 19994737HCID 19994737, compoundHCID 19994777HCID 19994777, compound

Product 1

HCID 14995282HCID 14995282, compound

Sources & evidence

ORD record
ord-b79babee074b4f1c8651a91161cf7194
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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