Potassium Cation → 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a, d]cyclohepten-7-yl)-propan-2-ol

HRID 1240745Notes

Reaction equation

HRID 1240745 reaction equation
[Br:25][CH2:26][CH2:27][CH:28]=[C:29]1[c:30]2[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]2)[O:32][CH2:33][c:34]2[c:35]1[cH:36][cH:37][cH:38][n:39]2.[CH:48]([OH:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[cH:3][c:4]([CH3:14])[c:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[I-:24].[K+:23].[n:15]1[c:16]([CH3:17])[cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:14])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:26][CH2:27][CH:28]=[C:29]3[c:30]4[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]4)[O:32][CH2:33][c:34]4[c:35]3[cH:36][cH:37][cH:38][n:39]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 3776IsopropanolHCID 79372,6-LutidineHCID 30165Iodide IonHCID 1008521-(4-Chloro-o-tolyl)piperazineHCID 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 667590462-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a, d]cyclohepten-7-yl)-propan-2-ol

Sources & evidence

ORD record
ord-df715c0bc2d44a0ba83f16912c919e41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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