Pentane → toluene-4-sulfonic acid 3-[3-[(3-fluoro-phenyl)-hydroxy-methyl]-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-phenyl ester
Reaction equation
[C:38]([Li:39])([CH3:40])([CH3:41])[CH3:42].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:57][CH2:58][CH2:59][CH2:60][CH3:61].[F:43][c:44]1[cH:45][c:46]([CH:47]=[O:48])[cH:49][cH:50][cH:51]1.[I:1][c:2]1[cH:3][n:4]([S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([CH3:37])[cH:35][cH:36]2)[c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([O:17][S:18](=[O:19])(=[O:20])[c:21]4[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]4)[cH:14][cH:15][cH:16]3)[cH:9][c:10]12>>[c:2]1([CH:47]([c:46]2[cH:45][c:44]([F:43])[cH:51][cH:50][cH:49]2)[OH:48])[cH:3][n:4]([S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([CH3:37])[cH:35][cH:36]2)[c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([O:17][S:18](=[O:19])(=[O:20])[c:21]4[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]4)[cH:14][cH:15][cH:16]3)[cH:9][c:10]12Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-f5dd64f6890b430ba132f37c22665f91
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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