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

HRID 1148890Notes

Reaction equation

HRID 1148890 reaction equation
[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:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][cH:38][c:39]([CH2:40][Br:41])[cH:42][cH:43]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][C:51]#[N:52].[K+:48].[K+:49]>>[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][CH2:40][c:39]3[cH:38][cH:37][c:36]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:43][cH:42]3)[cH:25][cH:26][cH:27][cH:28]2)[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 878361-(Bromomethyl)-4-(1,1-dimethylethyl)benzeneHCID 67351872Methyl 4-[3-[(4-cyanophenyl)methyl]-5-(2-hydroxyphenyl)pent-4-enyl]benzoate

Product 1

HCID 67353050Methyl 4-[5-[2-[(4-tert-butylphenyl)methoxy]phenyl]-3-[(4-cyanophenyl)methyl]pent-4-enyl]benzoate

Sources & evidence

ORD record
ord-4365f55e2d0042e194511c62c267c2ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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