Tetrahydrofuran → 3-{3,5-dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-indol-2-yl]-phenyl}-propionic acid methyl ester

HRID 1228403Notes

Reaction equation

HRID 1228403 reaction equation
[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][c:9]([CH3:26])[c:10](-[c:14]2[nH:15][c:16]3[cH:17][c:18]([C:23](=[O:24])[OH:25])[cH:19][cH:20][c:21]3[cH:22]2)[c:11]([CH3:13])[cH:12]1.[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH3:60][NH+:61]1[CH2:62][CH2:63][N:64]([CH2:65][CH2:66][CH3:67])[CH2:68]1.[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[I-:59].[NH2:27][c:28]1[n:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37]1.[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][c:9]([CH3:26])[c:10](-[c:14]2[nH:15][c:16]3[cH:17][c:18]([C:23](=[O:25])[NH:27][c:28]4[n:29][c:30]5[cH:31][cH:32][cH:33][cH:34][c:35]5[cH:36][cH:37]4)[cH:19][cH:20][c:21]3[cH:22]2)[c:11]([CH3:13])[cH:12]1

Participants

9

Reactant 8

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 113792-AminoquinolineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 30165Iodide IonHCID 757711-HydroxybenzotriazoleHCID 669662052-[4-(2-Methoxycarbonylethyl)-2,6-dimethylphenyl]-1H-indole-6-carboxylic acidHCID 1784564011-methyl-3-propylimidazolidin-1-ium

Product 1

HCID 669656943-{3,5-dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-indol-2-yl]-phenyl}-propionic acid methyl ester

Sources & evidence

ORD record
ord-e18b8a3852a54fa8abdcf978069b1f6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…