Acetone → [4-(1-Benzyl-3-pentyl-2-phenyl-1H-indol-5-yl)-phenoxy]-acetic acid methyl ester

HRID 1558346Notes

Reaction equation

HRID 1558346 reaction equation
[Br:41][CH2:42][C:43](=[O:44])[O:45][CH3:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:10]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:11]2[cH:12][c:13](-[c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[cH:14][cH:15][c:16]12.[CH3:47][C:48](=[O:49])[CH3:50].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:10]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:11]2[cH:12][c:13](-[c:17]3[cH:18][cH:19][c:20]([O:23][CH2:42][C:43](=[O:44])[O:45][CH3:46])[cH:21][cH:22]3)[cH:14][cH:15][c:16]12

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 60984Methyl bromoacetateHCID 688155514-(1-Benzyl-3-pentyl-2-phenyl-1H-indol-5-yl)-phenol

Product 1

HCID 68814967[4-(1-Benzyl-3-pentyl-2-phenyl-1H-indol-5-yl)-phenoxy]-acetic acid methyl ester

Sources & evidence

ORD record
ord-52dff3a3122840d3af2805b982d2933e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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