Acetic Acid → {3-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]phenyl}acetic acid
Reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[c:6]1[cH:7][c:8]([S:12](=[O:13])(=[N:14][C:15](=[O:16])[c:17]2[cH:18][n:19][cH:20][c:21]([C:23]#[C:24][c:25]3[cH:26][c:27]([NH:31][C:32](=[O:33])[c:34]4[cH:35][c:36]([CH3:40])[n:37][n:38]4[CH3:39])[cH:28][cH:29][cH:30]3)[cH:22]2)[CH3:41])[cH:9][cH:10][cH:11]1.[CH3:44][C:45](=[O:46])[OH:47].[Na+:43].[OH-:42]>>[CH2:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][c:8]([S:12](=[O:13])(=[N:14][C:15](=[O:16])[c:17]2[cH:18][n:19][cH:20][c:21]([C:23]#[C:24][c:25]3[cH:26][c:27]([NH:31][C:32](=[O:33])[c:34]4[cH:35][c:36]([CH3:40])[n:37][n:38]4[CH3:39])[cH:28][cH:29][cH:30]3)[cH:22]2)[CH3:41])[cH:9][cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-cdfeb3bc140a4ee68c63d877ad2fc4b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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