Potassium Cation → 11-[[1-(4-Chlorophenyl)piperidin-4-yl]methyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

HRID 169107Notes

Reaction equation

HRID 169107 reaction equation
[Br:24][c:25]1[cH:26][c:27]2[c:32]([n:33][cH:34]1)[N:31]1[CH:30]([C:29](=[O:38])[NH:28]2)[CH2:37][CH2:36][CH2:35]1.[C:39](=[O:40])([O-:41])[O-:42].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH:15]12[CH2:16][CH2:17][CH2:18][CH:19]([BH:20]1)[CH2:21][CH2:22][CH2:23]2.[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11](=[CH2:14])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[K+:43].[K+:44].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([CH2:14][c:25]3[cH:26][c:27]4[c:32]([n:33][cH:34]3)[N:31]3[CH:30]([C:29](=[O:38])[NH:28]4)[CH2:37][CH2:36][CH2:35]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 789669-Borabicyclo(3.3.1)nonaneHCID 578029431-(4-Chlorophenyl)-4-methylenepiperidineHCID 6809164811-Bromo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

Product 1

HCID 6809164711-[[1-(4-Chlorophenyl)piperidin-4-yl]methyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

Sources & evidence

ORD record
ord-3f1fd3d8bbad48519259e854ae7e378d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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