Acetone → HCID 12112398, compound

HRID 320385Notes

Reaction equation

HRID 320385 reaction equation
[CH3:22][C:23](=[O:24])[CH3:25].[Cl:1][c:2]1[c:3](-[c:8]2[o:9][c:10]([CH:15]([CH3:16])[CH3:17])[c:11]([CH2:13][I:14])[n:12]2)[cH:4][cH:5][cH:6][cH:7]1.[Na:18][C:19]#[N:20].[OH2:21]>>[Cl:1][c:2]1[c:3](-[c:8]2[o:9][c:10]([CH:15]([CH3:16])[CH3:17])[c:11]([CH2:13][C:19]#[N:20])[n:12]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 12112397HCID 12112397, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 12112398HCID 12112398, compound

Sources & evidence

ORD record
ord-af7fe4a9c4fc4d7fb804f735663cea82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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