Potassium Cation → 1-(4-Chloro-phenyl)-4-{3-[7-(1-hydroxy-1-methyl-ethyl)-11H-10-oxa-1-aza-dibenzo[a,d]cyclohepten-5-ylidene]-propyl}-piperazine-2-carboxylic Acid Methyl Ester

HRID 112873Notes

Reaction equation

HRID 112873 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])[CH:5]1[N:6]([c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:7][CH2:8][NH:9][CH2:10]1.[K+:22].[K+:23].[OH2:47]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:7][CH2:8][N:9]([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)[CH2:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-olHCID 667581311-(4-Chloro-phenyl)-piperazine-2-carboxylic acid methyl ester

Product 1

HCID 667578931-(4-Chloro-phenyl)-4-{3-[7-(1-hydroxy-1-methyl-ethyl)-11H-10-oxa-1-aza-dibenzo[a,d]cyclohepten-5-ylidene]-propyl}-piperazine-2-carboxylic Acid Methyl Ester

Sources & evidence

ORD record
ord-1a0bab1daa0f412d89a30baff96e2f31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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