Acetone → HCID 21964009, compound

HRID 1212516Notes

Reaction equation

HRID 1212516 reaction equation
[CH3:56][C:57](=[O:58])[CH3:59].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]2([c:31]3[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]3)[CH2:12][CH2:13][CH:14]([CH2:17][C:18](=[O:19])[c:20]3[cH:21][c:22]([CH:26]4[O:27][CH2:30][CH2:29][O:28]4)[cH:23][cH:24][cH:25]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1.[OH2:60].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([O-:45])(=[O:46])=[O:47])[cH:48][cH:49]1.[nH+:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]2([c:31]3[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]3)[CH2:12][CH2:13][CH:14]([CH2:17][C:18](=[O:19])[c:20]3[cH:21][c:22]([CH:26]=[O:27])[cH:23][cH:24][cH:25]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 21048967HCID 21048967, compound

Product 1

HCID 21964009HCID 21964009, compound

Sources & evidence

ORD record
ord-61665f0012a74b0d85a91faccb0e28bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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