Acetone → HCID 178510932, compound

HRID 2345178Notes

Reaction equation

HRID 2345178 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9]#[N:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:6][cH:7]1.[C:27]([O-:28])(=[O:29])[CH:30]=[CH:31][C:32]([O-:33])=[O:34].[CH2:47]([O:48][CH2:49][CH3:50])[CH3:51].[CH3:43][C:44]([CH3:45])=[O:46].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:20][CH2:21][c:22]1[n:23][cH:24][nH:25][cH:26]1.[ClH:19].[H-:17].[Na+:18].[OH:35][C:36]([CH:37]=[CH:38][C:39](=[O:40])[OH:41])=[O:42]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]#[N:10])([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:21][c:22]2[n:23][cH:24][nH:25][cH:26]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 7232-Butenedioic acidHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 164547ButenedioateHCID 166653HydrideHCID 13156968HCID 13156968, compoundHCID 178478442HCID 178478442, compound

Product 1

HCID 178510932HCID 178510932, compound

Sources & evidence

ORD record
ord-d38797162eb54d50a92661f6a33db443
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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