Potassium Cation → Methyl 4-[5-[2-(4-bromobutoxy)phenyl]-3-[(4-cyanophenyl)methyl]pent-4-enyl]benzoate

HRID 166293Notes

Reaction equation

HRID 166293 reaction equation
[Br:32][CH2:33][CH2:34][CH2:35][CH2:36][Br:37].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]2)[CH:21]=[CH:22][c:23]2[c:24]([OH:29])[cH:25][cH:26][cH:27][cH:28]2)[cH:30][cH:31]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:44][C:45]#[N:46].[K+:42].[K+:43]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]2)[CH:21]=[CH:22][c:23]2[c:24]([O:29][CH2:36][CH2:35][CH2:34][CH2:33][Br:32])[cH:25][cH:26][cH:27][cH:28]2)[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 80561,4-DibromobutaneHCID 19660Carbonate IonHCID 67351872Methyl 4-[3-[(4-cyanophenyl)methyl]-5-(2-hydroxyphenyl)pent-4-enyl]benzoate

Product 1

HCID 68660934Methyl 4-[5-[2-(4-bromobutoxy)phenyl]-3-[(4-cyanophenyl)methyl]pent-4-enyl]benzoate

Sources & evidence

ORD record
ord-fa629fad82454ebabb096efd7a66bf77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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