Potassium Cation → 4-(4-Chloro-phenyl)-1-{3-[7-(1-hydroxy-1-methyl-ethyl)-11H-10-oxa-1-aza-dibenzo-[a,d]cyclohepten-5-ylidene]-propyl}-piperidine-4-carbonitrile

HRID 1122999Notes

Reaction equation

HRID 1122999 reaction equation
[Br:22][CH2:23][CH2:24][CH:25]=[C:26]1[c:27]2[c:28]([cH:37][cH:38][c:39]([C:41]([CH3:42])([CH3:43])[OH:44])[cH:40]2)[O:29][CH2:30][c:31]2[c:32]1[cH:33][cH:34][cH:35][n:36]2.[C:16](=[O:17])([O-:18])[O-:19].[C:46](#[N:47])[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14]#[N:15])[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[K+:20].[K+:21].[OH2:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14]#[N:15])[CH2:9][CH2:10][N:11]([CH2:23][CH2:24][CH:25]=[C:26]3[c:27]4[c:28]([cH:37][cH:38][c:39]([C:41]([CH3:42])([CH3:43])[OH:44])[cH:40]4)[O:29][CH2:30][c:31]4[c:32]3[cH:33][cH:34][cH:35][n:36]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 229935654-(4-Chlorophenyl)piperidine-4-carbonitrileHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol

Product 1

HCID 667584194-(4-Chloro-phenyl)-1-{3-[7-(1-hydroxy-1-methyl-ethyl)-11H-10-oxa-1-aza-dibenzo-[a,d]cyclohepten-5-ylidene]-propyl}-piperidine-4-carbonitrile

Sources & evidence

ORD record
ord-a5a76dc1e7e842bab7928a09111cc8af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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