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-carboxylic Acid Methyl Ester

HRID 173445Notes

Reaction equation

HRID 173445 reaction equation
[Br:24][CH2:25][CH2:26][CH:27]=[C:28]1[c:29]2[c:30]([cH:39][cH:40][c:41]([C:43]([CH3:44])([CH3:45])[OH:46])[cH:42]2)[O:31][CH2:32][c:33]2[c:34]1[cH:35][cH:36][cH:37][n:38]2.[C:18](=[O:19])([O-:20])[O-:21].[C:48](#[N:49])[CH3:50].[CH3:1][O:2][C:3](=[O:4])[C:5]1([c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[K+:22].[K+:23].[OH2:47]>>[CH3:1][O:2][C:3](=[O:4])[C:5]1([c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:6][CH2:7][N:8]([CH2:25][CH2:26][CH:27]=[C:28]2[c:29]3[c:30]([cH:39][cH:40][c:41]([C:43]([CH3:44])([CH3:45])[OH:46])[cH:42]3)[O:31][CH2:32][c:33]3[c:34]2[cH:35][cH:36][cH:37][n:38]3)[CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 49760786Methyl 4-(4-chlorophenyl)piperidine-4-carboxylateHCID 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 667590674-(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-carboxylic Acid Methyl Ester

Sources & evidence

ORD record
ord-8a06c8a496c64c12a0e14ce788de6b45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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