Water → 5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-{trans-3-(pyridin-3-yloxy)-cyclobutyl]-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][CH:25]([OH:27])[CH2:26]2)[c:8]([C:10](=[O:11])[OH:12])[s:9]1)([CH3:28])[CH3:29].[CH3:37][C:38]#[N:39].[F:30][c:31]1[cH:32][n:33][cH:34][cH:35][cH:36]1.[OH2:47].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[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][CH:25]([O:27][c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[CH2:26]2)[c:8]([C:10](=[O:11])[OH:12])[s:9]1)([CH3:28])[CH3:29]Participants
6
Sources & evidence
- ORD record
- ord-f610a705a3ae439183e54506d76b1e62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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