Acetone → HCID 57576736, compound

HRID 147454Notes

Reaction equation

HRID 147454 reaction equation
[CH3:22][C:23]([CH3:24])=[O:25].[CH3:26][OH:27].[CH3:28][C:29]#[N:30].[NH2:1][O:2][CH2:3][c:4]1[n:5]([CH2:18][CH:19]([CH3:20])[CH3:21])[c:6]2[c:7]([c:8]([NH2:16])[n:9][c:10]3[c:15]2[CH2:14][CH2:13][CH2:12][CH2:11]3)[n:17]1>>[N:1]([O:2][CH2:3][c:4]1[n:5]([CH2:18][CH:19]([CH3:20])[CH3:21])[c:6]2[c:7]([c:8]([NH2:16])[n:9][c:10]3[c:15]2[CH2:14][CH2:13][CH2:12][CH2:11]3)[n:17]1)=[C:23]([CH3:22])[CH3:24]

Participants

5

Reactant 4

HCID 180AcetoneHCID 887MethanolHCID 6342AcetonitrileHCID 11289248HCID 11289248, compound

Product 1

HCID 57576736HCID 57576736, compound

Sources & evidence

ORD record
ord-d486be35cd02484495c9cb15a4c3c7d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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