Acetone → HCID 178428984, compound

HRID 107962Notes

Reaction equation

HRID 107962 reaction equation
[CH3:29][C:30](=[O:31])[CH3:32].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([nH:8][c:9]2[cH:10]1)[c:11]([C:27]#[N:28])[cH:12][n:13][c:14]3[NH:15][CH:16]1[CH:17]([CH3:26])[CH2:18][C:19]2([O:20][CH2:23][CH2:22][O:21]2)[CH2:24][CH2:25]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([nH:8][c:9]2[cH:10]1)[c:11]([C:27]#[N:28])[cH:12][n:13][c:14]3[NH:15][CH:16]1[CH:17]([CH3:26])[CH2:18][C:19](=[O:20])[CH2:24][CH2:25]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 8857Ethyl AcetateHCID 178421855HCID 178421855, compound

Product 1

HCID 178428984HCID 178428984, compound

Sources & evidence

ORD record
ord-49033b9ab7d74184ac4a41ca0f9c00c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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