3-[1-Cyclopropyl-1-(4-fluorophenyl)ethyl]-7-[(methylsulfanyl)methyl]-1H-indole → 3-[1-(4-Chloro-2-fluorophenyl)-1-cyclopropylethyl]-5-fluoro-7-[(methylsulfanyl)methyl]-1H-indole
Reaction equation
[CH:40]1([C:41]([c:42]2[c:43]3[c:44]([c:45]([CH2:46][S:47][CH3:48])[cH:49][cH:50][cH:51]3)[nH:52][cH:53]2)([c:54]2[cH:55][cH:56][c:57]([F:58])[cH:59][cH:60]2)[CH3:61])[CH2:62][CH2:63]1.[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1[CH:9]([CH2:10][CH2:11][OH:12])[c:13]1[cH:14][nH:15][c:16]2[c:17]([CH2:23][S:24][CH3:25])[cH:18][c:19]([F:22])[cH:20][c:21]12.[Cl:26][c:27]1[cH:28][c:29]([F:39])[c:30]([C:33]([CH3:34])([OH:35])[CH:36]2[CH2:37][CH2:38]2)[cH:31][cH:32]1>>[c:13]1([C:33]([c:30]2[c:29]([F:39])[cH:28][c:27]([Cl:26])[cH:32][cH:31]2)([CH3:34])[CH:36]2[CH2:37][CH2:38]2)[cH:14][nH:15][c:16]2[c:17]([CH2:23][S:24][CH3:25])[cH:18][c:19]([F:22])[cH:20][c:21]12Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-eca6b7e2019e462bbf4c8e9ef8ff7c33
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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