Acetone → HCID 178421503, compound

Reaction equation

[Ba+2:29].[Br:1][CH2:2][C:3]([CH:4]1[CH2:5][CH2:6][CH:7]2[CH:8]3[CH2:9][CH2:10][CH:11]4[CH2:12][CH:13]([OH:24])[CH2:14][CH2:15][C:16]4([CH3:17])[CH:18]3[C:19](=[O:23])[CH2:20][C:21]12[CH3:22])=[O:25].[CH3:33][C:34](=[O:35])[CH3:36].[OH2:37].[S-:26][C:27]#[N:28].[S-:30][C:31]#[N:32]>>[CH2:2]([C:3]([CH:4]1[CH2:5][CH2:6][CH:7]2[CH:8]3[CH2:9][CH2:10][CH:11]4[CH2:12][CH:13]([OH:24])[CH2:14][CH2:15][C:16]4([CH3:17])[CH:18]3[C:19](=[O:23])[CH2:20][C:21]12[CH3:22])=[O:25])[S:26][C:27]#[N:28]

Participants

Reactant 5

HCID 180Acetone

HCID 962Water

HCID 9322Thiocyanate2×

HCID 104810Barium ion

HCID 178421489HCID 178421489, compound

Product 1

HCID 178421503HCID 178421503, compound

Sources & evidence

ORD record: ord-6fd31dac3281427da6de01408bec1fe4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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