Ethanol → 5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]-1H-indole

HRID 683459Notes

Reaction equation

HRID 683459 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][CH2:41][OH:42].[K+:31].[K+:32].[N:1]12[CH2:2][CH:3]([n:9]3[n:10][cH:11][c:12]([I:14])[cH:13]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2.[OH2:43].[nH:15]1[cH:16][cH:17][c:18]2[cH:19][c:20]([B:24]([OH:25])[OH:26])[cH:21][cH:22][c:23]12>>[N:1]12[CH2:2][CH:3]([n:9]3[n:10][cH:11][c:12](-[c:20]4[cH:19][c:18]5[cH:17][cH:16][nH:15][c:23]5[cH:22][cH:21]4)[cH:13]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343615-Indolylboronic acidHCID 67463311HCID 67463311, compound

Product 1

HCID 670141405-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]-1H-indole

Sources & evidence

ORD record
ord-fb3b8959c0734cefaffe699d993644ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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