Hydrochloric Acid → 5-[({4-[(4-Butylphenyl)ethynyl]phenyl}sulfonyl)(hexyl)amino]-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]([c:23]3[cH:24][cH:25][c:26]([F:33])[c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32]3)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[cH:17][cH:18]2)[cH:9][cH:10]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[ClH:44].[Li+:42].[OH-:41].[OH2:40].[OH2:43]>>[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]([c:23]3[cH:24][cH:25][c:26]([F:33])[c:27]([C:28](=[O:29])[OH:30])[cH:32]3)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[cH:17][cH:18]2)[cH:9][cH:10]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-543aad483fb844f2a61821a8c8b52f07
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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