Acetone → HCID 135735632, compound

HRID 155040Notes

Reaction equation

HRID 155040 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10]([OH:41])[c:11]2[cH:12][cH:13][cH:14][c:15]([NH:36][S:37](=[O:38])(=[O:39])[CH3:40])[c:16]2[c:17]([N:19]=[N:20][c:21]2[cH:22][cH:23][c:24]([O:31][CH2:32][CH2:33][O:34][CH3:35])[c:25]([S:27](=[O:28])(=[O:29])[OH:30])[cH:26]2)[cH:18]1.[CH3:42][C:43](=[O:44])[CH3:45].[CH3:51][N:52]([CH3:53])[C:54](=[O:55])[CH3:56].[OH2:57].[P:46]([Cl:47])([Cl:48])([Cl:49])=[O:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10]([OH:41])[c:11]2[cH:12][cH:13][cH:14][c:15]([NH:36][S:37](=[O:38])(=[O:39])[CH3:40])[c:16]2[c:17]([N:19]=[N:20][c:21]2[cH:22][cH:23][c:24]([O:31][CH2:32][CH2:33][O:34][CH3:35])[c:25]([S:27](=[O:28])(=[O:29])[Cl:48])[cH:26]2)[cH:18]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 24813Phosphorus oxychlorideHCID 31374DimethylacetamideHCID 135735635HCID 135735635, compound

Product 1

HCID 135735632HCID 135735632, compound

Sources & evidence

ORD record
ord-f036d837ecaf467c8d18a82d7accf1df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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