Acetic Acid → {2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-acetic acid
Reaction equation
[CH3:30][C:31]([OH:32])=[O:33].[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[c:18]2[cH:19][c:20]3[c:21]([n:22][cH:23][c:24]([CH2:26][C:27]#[N:28])[cH:25]3)[nH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:34]>>[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[c:18]2[cH:19][c:20]3[c:21]([n:22][cH:23][c:24]([CH2:30][C:31]([OH:32])=[O:33])[cH:25]3)[nH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
4
Sources & evidence
- ORD record
- ord-dc400f0987be4c1bafd8541c2d3689df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)