Dimethyl Sulfoxide → (4-Imidazol-1-ylphenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

HRID 310168Notes

Reaction equation

HRID 310168 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:51][S:52]([CH3:53])=[O:54].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH:10]3[CH2:11][N:12]([CH:17]([CH3:18])[CH3:19])[CH2:13][CH:14]([CH2:15]2)[CH2:16]3)[cH:20][cH:21]1.[K+:31].[K+:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][O:45][CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:55].[nH:22]1[cH:23][n:24][cH:25][cH:26]1>>[c:2]1(-[n:22]2[cH:23][n:24][cH:25][cH:26]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH:10]3[CH2:11][N:12]([CH:17]([CH3:18])[CH3:19])[CH2:13][CH:14]([CH2:15]2)[CH2:16]3)[cH:20][cH:21]1

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 795ImidazoleHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 2855718-Crown-6HCID 15288947(4-Fluorophenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

Product 1

HCID 132984(4-Imidazol-1-ylphenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

Sources & evidence

ORD record
ord-db481fdc09ba4b85bacabdb26037ff93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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