Acetic Acid → 4-(1-Cyano-cyclohexylamino)benzoic acid ethyl ester
Reaction equation
[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH2:10])[cH:11][cH:12]1.[CH3:20][Si:21]([CH3:22])([CH3:23])[C:24]#[N:25].[CH3:28][C:29](=[O:30])[OH:31].[NH4+:26].[O:13]=[C:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[OH-:27]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH:10][C:14]2([C:24]#[N:25])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:11][cH:12]1Participants
7
Sources & evidence
- ORD record
- ord-9a2ea525d5da4b1293affd3122e90250
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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