Acetone → HCID 178510939, compound

HRID 2155700Notes

Reaction equation

HRID 2155700 reaction equation
[C:28]([O-:29])(=[O:30])[CH:31]=[CH:32][C:33]([O-:34])=[O:35].[CH2:36]([O:37][CH2:38][CH3:39])[CH3:40].[CH3:41][C:42]([CH3:43])=[O:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9]#[N:10])[c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[cH:6][cH:7]1.[Cl:21][CH2:22][c:23]1[n:24][cH:25][nH:26][cH:27]1.[ClH:20].[H-:18].[Na+:19]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]#[N:10])([c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:22][c:23]2[n:24][cH:25][nH:26][cH:27]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8806p,p'-DdcnHCID 164547ButenedioateHCID 166653HydrideHCID 178478442HCID 178478442, compound

Product 1

HCID 178510939HCID 178510939, compound

Sources & evidence

ORD record
ord-8d78f25d4bea49b69697bbc67a76a214
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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