Acetone → HCID 20063837, compound

HRID 2326496Notes

Reaction equation

HRID 2326496 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][Cl:36].[CH3:61][N:62]([CH3:63])[c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[CH3:70][C:71](=[O:72])[CH3:73].[ClH:30].[F:1][c:2]1[cH:3][c:4]([CH:10]2[S:11][c:12]3[c:13]([cH:19][cH:20][c:21]([O:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:22]3)[NH:14][C:15](=[O:18])[CH:16]2[OH:17])[cH:5][cH:6][c:7]1[O:8][CH3:9].[K+:41].[K+:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48][O:49][CH2:50][CH2:51][O:52][CH2:53][CH2:54][O:55][CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[F:1][c:2]1[cH:3][c:4]([CH:10]2[S:11][c:12]3[c:13]([cH:19][cH:20][c:21]([O:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:22]3)[N:14]([CH2:35][CH2:34][N:32]([CH3:31])[CH3:33])[C:15](=[O:18])[CH:16]2[OH:17])[cH:5][cH:6][c:7]1[O:8][CH3:9]

Participants

9

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 79012-Chloro-N,N-dimethylethylamineHCID 142844-(Dimethylamino)pyridineHCID 19660Carbonate IonHCID 2855718-Crown-6HCID 20063830HCID 20063830, compound

Product 1

HCID 20063837HCID 20063837, compound

Sources & evidence

ORD record
ord-ca79a5a890ee4b8681b69659ee095045
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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