Diethyl Ether → 1-[3-(4-Octylphenoxy)-2-oxopropyl]pyrrole-3-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][n:10]([CH2:13][C:14]([CH2:15][O:16][c:17]2[cH:18][cH:19][c:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[cH:21][cH:22]2)=[O:31])[cH:11][cH:12]1.[CH3:35][CH2:36][O:37][CH2:38][CH3:39].[Cl:32][CH2:33][Cl:34]>>[O:5]=[C:6]([OH:7])[c:8]1[cH:9][n:10]([CH2:13][C:14]([CH2:15][O:16][c:17]2[cH:18][cH:19][c:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[cH:21][cH:22]2)=[O:31])[cH:11][cH:12]1Participants
4
Sources & evidence
- ORD record
- ord-bb813feabe074deaacc6c6e6d14b74ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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