Hydrochloric Acid → (+/-)-ethyl N-{4-[4,4,4-trifluoro-1-({6-[4-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}amino)butyl]benzoyl}-beta-alaninate
Reaction equation
[CH2:61]([N:62]=[C:63]=[N:64][CH2:65][CH2:66][CH2:67][N:68]([CH3:69])[CH3:70])[CH3:71].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[Cl:72][CH2:73][Cl:74].[ClH:1].[ClH:60].[F:10][C:11]([CH2:12][CH2:13][CH:14]([NH:15][c:16]1[cH:17][n:18][c:19](-[n:22]2[n:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:20][cH:21]1)[c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1)([F:40])[F:41].[NH2:2][CH2:3][CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9].[OH2:42].[OH2:75].[OH:43][c:44]1[c:45]2[n:46][n:47][nH:48][c:49]2[cH:50][cH:51][cH:52]1>>[NH:2]([CH2:3][CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9])[C:35]([c:34]1[cH:33][cH:32][c:31]([CH:14]([CH2:13][CH2:12][C:11]([F:10])([F:40])[F:41])[NH:15][c:16]2[cH:17][n:18][c:19](-[n:22]3[n:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]3)[cH:20][cH:21]2)[cH:39][cH:38]1)=[O:36]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-4628528a152248b6b8a00a0f1748c547
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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