Hydrochloric Acid → (4-{[{4-[(4-Butylphenyl)ethynyl]benzyl}(ethylsulfonyl)amino]-methyl}phenoxy)acetic 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]([CH2:17][N:18]([S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[CH2:24][c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36]3)[cH:37][cH:38]2)[cH:9][cH:10]1.[CH3:42][CH2:43][OH:44].[ClH:41].[Na+:40].[OH-:39]>>[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]([CH2:17][N:18]([S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[CH2:24][c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][C:31](=[O:32])[OH:33])[cH:35][cH:36]3)[cH:37][cH:38]2)[cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-f13433f284ff45e59f8afbb4f8ae2215
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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