Trifluoroacetic acid → 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid diisobutylamide

HRID 1226647Notes

Reaction equation

HRID 1226647 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH2:9][c:10]1[c:11](-[c:30]2[cH:31][c:32]([CH3:37])[cH:33][c:34]([CH3:36])[cH:35]2)[nH:12][c:13]2[cH:14][cH:15][c:16]([C:19]([N:20]([CH2:21][CH:22]([CH3:23])[CH3:24])[CH2:25][CH:26]([CH3:27])[CH3:28])=[O:29])[cH:17][c:18]12)([CH3:5])([CH3:6])[CH3:38].[CH3:39][O:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[NH2:7][CH2:8][CH2:9][c:10]1[c:11](-[c:30]2[cH:31][c:32]([CH3:37])[cH:33][c:34]([CH3:36])[cH:35]2)[nH:12][c:13]2[cH:14][cH:15][c:16]([C:19]([N:20]([CH2:21][CH:22]([CH3:23])[CH3:24])[CH2:25][CH:26]([CH3:27])[CH3:28])=[O:29])[cH:17][c:18]12

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 54298340{2-[5-diisobutylcarbamoyl-2-(3,5-dimethylphenyl)-1H-indol-3-yl]-ethyl}carbamic acid tert-butyl ester

Product 1

HCID 537946513-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid diisobutylamide

Sources & evidence

ORD record
ord-789a3aa0bfe84401887f43da1c8a2241
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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