Sodium ion → 5-(3,3-Dimethyl-but-1-ynyl)-3-{(trans-4-methyl-cyclohexanecarbonyl)-[trans-4-(6-chloro-pyridazin-3-yloxy)-cyclohexyl]-amino}-thiophene-2-carboxylic acid
Reaction equation
[CH3:1][C:2]([C:3]#[C:4][c:5]1[cH:6][c:7]([N:13]([C:14](=[O:15])[CH:16]2[CH2:17][CH2:18][CH:19]([CH3:22])[CH2:20][CH2:21]2)[CH:23]2[CH2:24][CH2:25][CH:26]([OH:29])[CH2:27][CH2:28]2)[c:8]([C:10](=[O:11])[OH:12])[s:9]1)([CH3:30])[CH3:31].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:32][c:33]1[n:34][n:35][c:36]([Cl:39])[cH:37][cH:38]1.[H-:40].[Na+:41].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH3:1][C:2]([C:3]#[C:4][c:5]1[cH:6][c:7]([N:13]([C:14](=[O:15])[CH:16]2[CH2:17][CH2:18][CH:19]([CH3:22])[CH2:20][CH2:21]2)[CH:23]2[CH2:24][CH2:25][CH:26]([O:29][c:36]3[n:35][n:34][c:33]([Cl:32])[cH:38][cH:37]3)[CH2:27][CH2:28]2)[c:8]([C:10](=[O:11])[OH:12])[s:9]1)([CH3:30])[CH3:31]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-e26a5c6ecdb149c985e1338b99e58cc4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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