Acetone → HCID 69331901, compound

HRID 194649Notes

Reaction equation

HRID 194649 reaction equation
[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][C:49](=[O:50])[CH3:51].[Cl:38][CH:39]([Cl:40])[Cl:41].[ClH:37].[H-:2].[NH2:10][c:11]1[n:12][c:13](-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:14](-[c:21]2[cH:22][cH:23][c:24](=[O:30])[n:25]([CH:27]([CH3:28])[CH3:29])[n:26]2)[n:15][c:16]1[S:17]([CH3:18])(=[O:19])=[O:20].[Na+:1].[OH:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1>>[O:3]([CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1)[c:16]1[c:11]([NH2:10])[n:12][c:13](-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:14](-[c:21]2[cH:22][cH:23][c:24](=[O:30])[n:25]([CH:27]([CH3:28])[CH3:29])[n:26]2)[n:15]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6212ChloroformHCID 7966CyclohexanolHCID 8058HexaneHCID 166653HydrideHCID 69331470HCID 69331470, compound

Product 1

HCID 69331901HCID 69331901, compound

Sources & evidence

ORD record
ord-26cd7d4a70124814a96bce69c923c3f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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