Hydrochloric Acid → 3-(4-{3-[2-(4-Chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-ureido}-3-fluoro-phenyl)-propionic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[cH:10][c:11]([F:41])[c:12]([NH:15][C:16](=[O:17])[N:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:25]2[n:26](-[c:34]3[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]3)[n:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]23)[cH:13][cH:14]1)=[O:42].[ClH:45].[Na+:44].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH-:43]>>[O:5]=[C:6]([CH2:7][CH2:8][c:9]1[cH:10][c:11]([F:41])[c:12]([NH:15][C:16](=[O:17])[N:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:25]2[n:26](-[c:34]3[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]3)[n:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]23)[cH:13][cH:14]1)[OH:42]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-049a6043a0844be9835563b8a68f2d8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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