Dichloromethane → 4-[3-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-yl)-oct-1-ynyl]-benzoic acid

HRID 1545091Notes

Reaction equation

HRID 1545091 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][C:11]([CH3:35])([CH3:36])[c:12]2[cH:13][cH:14][c:15]([CH:18]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]3)[CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:16][c:17]21)([CH3:5])([CH3:6])[CH3:7].[Cl:44][CH2:45][Cl:46].[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43]>>[NH:8]1[CH2:9][CH2:10][C:11]([CH3:35])([CH3:36])[c:12]2[cH:13][cH:14][c:15]([CH:18]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]3)[CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:16][c:17]21

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 692139537-[3-(4-carboxy-phenyl)-1-pentyl-prop-2-ynyl]-4,4-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester

Product 1

HCID 102716564-[3-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-yl)-oct-1-ynyl]-benzoic acid

Sources & evidence

ORD record
ord-18b50d8615fe407cbbe74ac063d917e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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