Ethanol → 1-(3-(3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)but-1-enyl)phenyl)ethanone
Reaction equation
[CH3:1][CH:2]([CH:3]=[C:4]([c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10][cH:11][cH:12]2)[n:13]1[S:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)(=[O:21])=[O:22])[c:23]1[cH:24][c:25]([C:29]([CH3:30])=[O:31])[cH:26][cH:27][cH:28]1)[CH3:32].[CH3:35][CH2:36][OH:37].[Na+:34].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:33]>>[CH3:1][CH:2]([CH:3]=[C:4]([c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10][cH:11][cH:12]2)[nH:13]1)[c:23]1[cH:24][c:25]([C:29]([CH3:30])=[O:31])[cH:26][cH:27][cH:28]1)[CH3:32]Participants
6
Sources & evidence
- ORD record
- ord-ddad3289e5f24b429ee39bfdfee6fc99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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