Acetic Acid → 3-Cyano-4-(2-methylbutoxy)benzoic acid
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH2:11][CH:12]([CH2:13][CH3:14])[CH3:15])[c:6]([C:7]#[N:8])[cH:9]1.[C:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)(=[O:29])[OH:30].[CH2:16]([Li:17])[CH2:18][CH2:19][CH3:20].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:41][C:42](=[O:43])[OH:44].[Li:21].[OH2:40].[OH:31][C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39]>>[c:2]1([C:22](=[O:29])[OH:30])[cH:3][cH:4][c:5]([O:10][CH2:11][CH:12]([CH2:13][CH3:14])[CH3:15])[c:6]([C:7]#[N:8])[cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-020f9c8a349c4bd4ba9fcf9d3f862571
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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