Citric Acid → {2-Chloro-4-[3-(4-chloro-phenylethynyl)-5-(3-piperidin-1-yl-propoxy)phenylsulfanyl]-phenoxy}-acetic Acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([Cl:39])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:30]#[C:31][c:32]3[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[cH:17][c:18]([O:20][CH2:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:19]2)[cH:11][cH:12]1)=[O:40].[CH3:56][CH2:57][OH:58].[Na+:42].[OH-:41].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([Cl:39])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:30]#[C:31][c:32]3[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[cH:17][c:18]([O:20][CH2:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:19]2)[cH:11][cH:12]1)[OH:40]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-3f5081a61b604d7c8b29e09e245cafc6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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