Water → 5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-fluoro-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
Reaction equation
[CH2:32]([N:33]([S:34]([F:35])([F:36])[F:38])[CH2:37][CH3:39])[CH3:40].[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].[Cl:41][CH2:42][Cl:43].[OH2:44]>>[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]([F:38])[CH2:27][CH2:28]2)[c:8]([C:10](=[O:11])[OH:12])[s:9]1)([CH3:30])[CH3:31]Participants
5
Sources & evidence
- ORD record
- ord-4a67cfa97a424c36baff93ff1c3d2916
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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