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

HRID 161294Notes

Reaction equation

HRID 161294 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.[C:19](=[O:20])([O-:21])[O-:22].[C:49](#[N:50])[CH3:51].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][NH:10][CH2:11][CH2:12]2)[CH2:13][CH:14]([CH3:15])[CH3:16])[cH:17][cH:18]1.[K+:23].[K+:24].[OH2:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][N:10]([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)[CH2:11][CH2:12]2)[CH2:13][CH:14]([CH3:15])[CH3:16])[cH:17][cH:18]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 23136981N-[(4-Chlorophenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amineHCID 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 667579032-[5-(3-{3-[(4-Chloro-benzyl)-isobutyl-amino]-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-c4766cb1ce1248b88fcfda50ed388450
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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