Ethyl Acetate → 3-(3-Aminophthalimido)-3-(3-ethoxy-4-methoxyphenyl)propanenitrile
Reaction equation
[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[H:30][H:31].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]2[c:6]([cH:27][cH:28][cH:29]1)[C:7](=[O:8])[N:9]([CH:12]([CH2:13][C:14]#[N:15])[c:16]1[cH:17][c:18]([O:24][CH2:25][CH3:26])[c:19]([O:22][CH3:23])[cH:20][cH:21]1)[C:10]2=[O:11]>>[NH2:1][c:4]1[c:5]2[c:6]([cH:27][cH:28][cH:29]1)[C:7](=[O:8])[N:9]([CH:12]([CH2:13][C:14]#[N:15])[c:16]1[cH:17][c:18]([O:24][CH2:25][CH3:26])[c:19]([O:22][CH3:23])[cH:20][cH:21]1)[C:10]2=[O:11]Participants
4
Sources & evidence
- ORD record
- ord-f6ceb8ae65784f2da96ef81b5975d021
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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