Hydrochloric Acid → {4-[3-Isobutoxy-5-(4-methanesulfonyl-phenylethynyl)-benzylsulfanyl]-2-methyl-phenoxy}-acetic Acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:38])[cH:9][c:10]([S:13][CH2:14][c:15]2[cH:16][c:17]([O:33][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:18][c:19]([C:21]#[C:22][c:23]3[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]3)[cH:20]2)[cH:11][cH:12]1)=[O:39].[CH3:43][CH2:44][OH:45].[ClH:42].[Na+:41].[OH-:40]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:38])[cH:9][c:10]([S:13][CH2:14][c:15]2[cH:16][c:17]([O:33][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:18][c:19]([C:21]#[C:22][c:23]3[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]3)[cH:20]2)[cH:11][cH:12]1)[OH:39]Participants
6
Sources & evidence
- ORD record
- ord-bf6afda0338645b38e9b3b26aad6760e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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