Acetic Acid → 3-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]benzoic acid
Reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][n:2]1[n:3][c:4]([CH3:40])[cH:5][c:6]1[C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:16]#[C:17][c:18]2[cH:19][c:20]([C:24](=[O:25])[N:26]=[S:27](=[O:28])([CH3:29])[c:30]3[cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38][cH:39]3)[cH:21][n:22][cH:23]2)[cH:13][cH:14][cH:15]1.[CH3:43][C:44](=[O:45])[OH:46].[Na+:42].[OH-:41]>>[CH3:1][n:2]1[n:3][c:4]([CH3:40])[cH:5][c:6]1[C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:16]#[C:17][c:18]2[cH:19][c:20]([C:24](=[O:25])[N:26]=[S:27](=[O:28])([CH3:29])[c:30]3[cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:37][cH:38][cH:39]3)[cH:21][n:22][cH:23]2)[cH:13][cH:14][cH:15]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-9eab225e00fe490aaf5f31e11c5a3514
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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