Potassium Cation → 2-[(4-Chlorophenyl)methyl]-5-[3-(2,5-diazabicyclo[2.2.1]hept-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-7-methyl-1H-isoindol-1-one

HRID 293658Notes

Reaction equation

HRID 293658 reaction equation
[C:33]([O:34][C:35](=[O:36])[N:40]1[CH:41]2[CH2:42][NH:43][CH:44]([CH2:45]1)[CH2:46]2)([CH3:37])([CH3:38])[CH3:39].[CH3:47][C:48]#[N:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:24])[c:9]3[c:10]([CH3:23])[cH:11][c:12](-[c:16]4[n:17][c:18]([CH2:21][Cl:22])[n:19][o:20]4)[cH:13][c:14]3[CH2:15]2)[cH:25][cH:26]1.[K+:27].[K+:28].[O-:29][C:30]([O-:31])=[O:32].[OH2:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:24])[c:9]3[c:10]([CH3:23])[cH:11][c:12](-[c:16]4[n:17][c:18]([CH2:21][N:40]5[CH:41]6[CH2:42][NH:43][CH:44]([CH2:45]5)[CH2:46]6)[n:19][o:20]4)[cH:13][c:14]3[CH2:15]2)[cH:25][cH:26]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylateHCID 59543992HCID 59543992, compound

Product 1

HCID 251252182-[(4-Chlorophenyl)methyl]-5-[3-(2,5-diazabicyclo[2.2.1]hept-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-7-methyl-1H-isoindol-1-one

Sources & evidence

ORD record
ord-13c6e4f598d74c449546cd468fca4f17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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