Water → trans-4-Pentylcyclohexanecarboxylic acid p-(2-cyanoethynyl)phenyl ester
Reaction equation
[CH2:12]([CH2:13][CH2:14][CH2:15][CH3:16])[CH:17]1[CH2:18][CH2:19][CH:20]([C:23](=[O:24])[OH:25])[CH2:21][CH2:22]1.[CH2:51]([Cl:52])[Cl:53].[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[CH:26]1([N:27]=[C:28]=[N:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:41].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][C:10]#[N:11])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][C:10]#[N:11])[cH:6][cH:7]1)[C:23]([CH:20]1[CH2:19][CH2:18][CH:17]([CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH2:22][CH2:21]1)=[O:24]Participants
7
Sources & evidence
- ORD record
- ord-2a6aa11c7ca34d73b20db5290dfb03f9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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