Hydrochloric Acid → (4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid
Reaction equation
[CH3:3][O:4][C:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([CH2:13][N:14]2[c:15]3[c:16]([cH:43][c:44]([CH3:51])[c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]3)[CH:17]([N:21]([c:22]3[cH:23][c:24]([CH3:27])[n:25][o:26]3)[CH2:28][c:29]3[cH:30][c:31]([C:39]([F:40])([F:41])[F:42])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]3)[CH2:18][CH2:19][CH2:20]2)[CH2:11][CH2:12]1)=[O:52].[CH3:54][OH:55].[ClH:53].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([CH2:13][N:14]2[c:15]3[c:16]([cH:43][c:44]([CH3:51])[c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]3)[CH:17]([N:21]([c:22]3[cH:23][c:24]([CH3:27])[n:25][o:26]3)[CH2:28][c:29]3[cH:30][c:31]([C:39]([F:40])([F:41])[F:42])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]3)[CH2:18][CH2:19][CH2:20]2)[CH2:11][CH2:12]1)[OH:52]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-7429e4622e8c43a2bdeb6148d665040d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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