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

HRID 2319227Notes

Reaction equation

HRID 2319227 reaction equation
[Br:21][CH2:22][CH2:23][CH:24]=[C:25]1[c:26]2[c:27]([cH:36][cH:37][c:38]([C:40]([CH3:41])([CH3:42])[OH:43])[cH:39]2)[O:28][CH2:29][c:30]2[c:31]1[cH:32][cH:33][cH:34][n:35]2.[C:15](=[O:16])([O-:17])[O-:18].[C:45](#[N:46])[CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][CH:8]2[CH2:9][NH:10][CH2:11][CH2:12]2)[cH:13][cH:14]1.[K+:19].[K+:20].[OH2:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][CH:8]2[CH2:9][N:10]([CH2:22][CH2:23][CH:24]=[C:25]3[c:26]4[c:27]([cH:36][cH:37][c:38]([C:40]([CH3:41])([CH3:42])[OH:43])[cH:39]4)[O:28][CH2:29][c:30]4[c:31]3[cH:32][cH:33][cH:34][n:35]4)[CH2:11][CH2:12]2)[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 223136933-((4-Chlorobenzyl)oxy)pyrrolidineHCID 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 667586412-(5-{3-[3-(4-Chloro-benzyloxy)-pyrrolidin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol

Sources & evidence

ORD record
ord-5a6d42c781b2462b915bb9499ff5df5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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