Ethyl Acetate → HCID 59425699, compound
Reaction equation
[CH2:1]([CH3:2])[n:3]1[c:4](-[c:16]2[cH:17][c:18]([N+:23]([O-:24])=[O:25])[c:19]([OH:22])[cH:20][cH:21]2)[c:5]([C:14]#[N:15])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12.[CH3:26][CH2:27][O:28][C:29]([CH3:30])=[O:31]>>[CH2:1]([CH3:2])[n:3]1[c:4](-[c:16]2[cH:17][c:18]([NH2:23])[c:19]([OH:22])[cH:20][cH:21]2)[c:5]([C:14]#[N:15])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
3
Sources & evidence
- ORD record
- ord-df03f7b093bc43498b2575e534eb8f02
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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