Hydrochloric Acid → 2-heptan-4-yl-N-[3-hydroxy-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide
Reaction equation
[CH3:60][N:61]([CH3:62])[CH2:63][CH2:64][CH2:65][N:66]=[C:67]=[N:68][CH2:69][CH3:70].[CH:71]([N:72]([CH2:73][CH3:74])[CH:75]([CH3:76])[CH3:77])([CH3:78])[CH3:79].[Cl:80][CH2:81][Cl:82].[ClH:22].[ClH:59].[NH2:23][CH:24]([CH:25]([CH2:26][NH:27][C:28]1([c:31]2[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[CH2:29][CH2:30]1)[OH:41])[CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:1]=[C:2]1[N:3]([CH:15]([CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH3:21])[CH2:4][CH2:5][c:6]2[c:7]([C:12](=[O:13])[OH:14])[cH:8][cH:9][cH:10][c:11]21.[OH2:83].[OH:49][c:50]1[c:51]2[n:52][n:53][nH:54][c:55]2[cH:56][cH:57][cH:58]1>>[O:1]=[C:2]1[N:3]([CH:15]([CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH3:21])[CH2:4][CH2:5][c:6]2[c:7]([C:12](=[O:13])[NH:23][CH:24]([CH:25]([CH2:26][NH:27][C:28]3([c:31]4[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]4)[CH2:29][CH2:30]3)[OH:41])[CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:8][cH:9][cH:10][c:11]21Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-82c8a95ed70442829d34ee3a77346a7e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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