Acetone → HCID 69332575, compound

HRID 209840Notes

Reaction equation

HRID 209840 reaction equation
[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][C:46](=[O:47])[CH3:48].[ClH:38].[F:3][c:4]1[cH:5][cH:6][c:7]([OH:10])[cH:8][cH:9]1.[H-:2].[NH2:11][c:12]1[n:13][c:14](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:15](-[c:22]2[cH:23][cH:24][c:25](=[O:31])[n:26]([CH:28]([CH3:29])[CH3:30])[n:27]2)[n:16][c:17]1[S:18]([CH3:19])(=[O:20])=[O:21].[Na+:1]>>[F:3][c:4]1[cH:5][cH:6][c:7]([O:10][c:17]2[c:12]([NH2:11])[n:13][c:14](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:15](-[c:22]3[cH:23][cH:24][c:25](=[O:31])[n:26]([CH:28]([CH3:29])[CH3:30])[n:27]3)[n:16]2)[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8058HexaneHCID 97324-FluorophenolHCID 166653HydrideHCID 69331470HCID 69331470, compound

Product 1

HCID 69332575HCID 69332575, compound

Sources & evidence

ORD record
ord-8f929cd93dda4db99eaac30404887996
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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