Acetone → HCID 16657175, compound

HRID 1221539Notes

Reaction equation

HRID 1221539 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[NH:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([S:22]([NH2:23])(=[O:24])=[O:25])[c:14]1[O:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][C:38](=[O:39])[CH3:40].[Cl:26][CH2:27][C:28]#[N:29]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[NH:5][c:6]1[cH:7][c:8]([C:9]([O:10][CH2:27][C:28]#[N:29])=[O:11])[cH:12][c:13]([S:22]([NH2:23])(=[O:24])=[O:25])[c:14]1[O:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 2471BumetanideHCID 7856ChloroacetonitrileHCID 8471Triethylamine

Product 1

HCID 16657175HCID 16657175, compound

Sources & evidence

ORD record
ord-317a0268c74e476d8b7b2bb7bd956e21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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