Hydrochloric Acid → 2-(4-Fluoro-phenoxy)-N-[4-(1-hydroxy-1-methyl-ethyl)-cyclohex-1-enylmethyl]-nicotinamide
Reaction equation
[CH2:14]([N:15]([CH2:16][CH3:17])[CH2:18][CH2:19][Cl:20])[CH3:21].[CH2:50]([N:51]([CH2:52][CH3:53])[CH2:54][CH3:55])[CH3:56].[CH2:57]([Cl:58])[Cl:59].[ClH:13].[F:22][c:23]1[cH:24][cH:25][c:26]([O:27][c:28]2[c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34][cH:35][n:36]2)[cH:37][cH:38]1.[NH2:1][CH2:2][C:3]1=[CH:4][CH2:5][CH:6]([C:9]([CH3:10])([CH3:11])[OH:12])[CH2:7][CH2:8]1.[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[NH:1]([CH2:2][C:3]1=[CH:4][CH2:5][CH:6]([C:9]([CH3:10])([CH3:11])[OH:12])[CH2:7][CH2:8]1)[C:30]([c:29]1[c:28]([O:27][c:26]2[cH:25][cH:24][c:23]([F:22])[cH:38][cH:37]2)[n:36][cH:35][cH:34][cH:33]1)=[O:31]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-7e71c290cfda4f0690e296fd2814d331
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…