Hydrochloric Acid → 4-{4-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-azepan-1-yl}-benzoic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][CH:14]([O:18][CH2:19][c:20]3[c:21](-[c:28]4[c:29]([Cl:35])[cH:30][cH:31][cH:32][c:33]4[Cl:34])[n:22][o:23][c:24]3[CH:25]3[CH2:26][CH2:27]3)[CH2:15][CH2:16][CH2:17]2)[cH:9][cH:10]1)=[O:36].[CH3:40][CH2:41][OH:42].[ClH:39].[K+:38].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:37]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][CH:14]([O:18][CH2:19][c:20]3[c:21](-[c:28]4[c:29]([Cl:35])[cH:30][cH:31][cH:32][c:33]4[Cl:34])[n:22][o:23][c:24]3[CH:25]3[CH2:26][CH2:27]3)[CH2:15][CH2:16][CH2:17]2)[cH:9][cH:10]1)[OH:36]Participants
7
Sources & evidence
- ORD record
- ord-a8d6554ca52d43e198cb196461b7f392
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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