Bicarbonate Ion → 1-(2-[4-(6-Trifluoromethyl-benzo[b]thiophen-3-yl)-piperazin-1-yl]-ethyl}-cyclopropanecarboxylic acid (3-imidazol-1-yl-propyl)-amide
Reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:28][C:29]([C:30]([Cl:31])=[O:32])=[O:33].[Cl:55][CH2:56][Cl:57].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([s:8][cH:9][c:10]2[N:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][C:19]3([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]3)[CH2:15][CH2:16]2)[cH:25]1)([F:26])[F:27].[NH2:34][CH2:35][CH2:36][CH2:37][n:38]1[cH:39][n:40][cH:41][cH:42]1.[Na+:54].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([s:8][cH:9][c:10]2[N:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][C:19]3([C:22](=[O:24])[NH:34][CH2:35][CH2:36][CH2:37][n:38]4[cH:39][n:40][cH:41][cH:42]4)[CH2:20][CH2:21]3)[CH2:15][CH2:16]2)[cH:25]1)([F:26])[F:27]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-2107e8bf0a8e4d1d8612d9ae87ea3747
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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