Acetone → HCID 59711771, compound

HRID 2146815Notes

Reaction equation

HRID 2146815 reaction equation
[C:15](=[O:16])([O-:17])[O-:18].[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]1[CH:8]([CH2:13][Br:14])[CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:29][C:30](=[O:31])[CH3:32].[Cs+:19].[Cs+:20].[SH:21][c:22]1[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]1>>[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]1[CH:8]([CH2:13][S:21][c:22]2[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]2)[CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2401474-MercaptophenolHCID 86596153N-cyanomethyl 2-bromomethylcyclohexanecarboxamide

Product 1

HCID 59711771HCID 59711771, compound

Sources & evidence

ORD record
ord-643b62b20b54440fb0274d60a5fa9d68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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