Hydrochloric Acid → 5-{[({4-[(4-Butylphenyl)ethynyl]phenyl}sulfonyl)(hexyl)amino]methyl)-2-fluorobenzoic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[N:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:29][c:30]3[cH:31][cH:32][c:33]([F:40])[c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39]3)[cH:17][cH:18]2)[cH:9][cH:10]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[ClH:45].[Li+:43].[OH-:42].[OH2:41].[OH2:44]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[N:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:29][c:30]3[cH:31][cH:32][c:33]([F:40])[c:34]([C:35](=[O:36])[OH:37])[cH:39]3)[cH:17][cH:18]2)[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-c7ac62be3c4a4d55ab379977ab9dcf44
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…