Hydrochloric Acid → [4-(3-Isobutoxy-5-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]([CH3:34])[cH:9][c:10]([S:13][CH2:14][c:15]2[cH:16][c:17]([O:29][CH2:30][CH:31]([CH3:32])[CH3:33])[cH:18][c:19]([C:21]#[C:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:20]2)[cH:11][cH:12]1)=[O:35].[CH3:39][CH2:40][OH:41].[ClH:38].[Na+:37].[OH-:36]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:34])[cH:9][c:10]([S:13][CH2:14][c:15]2[cH:16][c:17]([O:29][CH2:30][CH:31]([CH3:32])[CH3:33])[cH:18][c:19]([C:21]#[C:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:20]2)[cH:11][cH:12]1)[OH:35]Participants
6
Sources & evidence
- ORD record
- ord-7728b884039c4ee98a1e3b61eb7e0d09
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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