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

HRID 1230531Notes

Reaction equation

HRID 1230531 reaction equation
[Br:28][CH2:29][CH2:30][CH:31]=[C:32]1[c:33]2[c:34]([cH:43][cH:44][c:45]([C:47]([CH3:48])([CH3:49])[OH:50])[cH:46]2)[O:35][CH2:36][c:37]2[c:38]1[cH:39][cH:40][cH:41][n:42]2.[CH3:1][O:2][C:3]([c:4]1[c:5]([N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:6][cH:7][c:8]([Cl:10])[cH:9]1)=[O:17].[CH:51]([OH:52])([CH3:53])[CH3:54].[I-:27].[K+:26].[n:18]1[c:19]([CH3:20])[cH:21][cH:22][cH:23][c:24]1[CH3:25]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([N:11]2[CH2:12][CH2:13][N:14]([CH2:29][CH2:30][CH:31]=[C:32]3[c:33]4[c:34]([cH:43][cH:44][c:45]([C:47]([CH3:48])([CH3:49])[OH:50])[cH:46]4)[O:35][CH2:36][c:37]4[c:38]3[cH:39][cH:40][cH:41][n:42]4)[CH2:15][CH2:16]2)[cH:6][cH:7][c:8]([Cl:10])[cH:9]1)=[O:17]

Participants

7

Reactant 6

HCID 813Potassium CationHCID 3776IsopropanolHCID 79372,6-LutidineHCID 30165Iodide IonHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-olHCID 66757938Methyl 5-Chloro-2-(1-piperazinyl)benzoate

Product 1

HCID 667576465-Chloro-2-(4-{3-[7-(1-hydroxy-1-methyl-ethyl)-11H-10-oxa-1-aza-dibenzo[a,d]cyclohepten-5-ylidene]-propyl}-piperazin-1-yl)-benzoic Acid Methyl Ester

Sources & evidence

ORD record
ord-051a59052b9340f4b22fbf937f1a7332
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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