Methyl 2-amino-3-[4-(4-cyanophenyl)phenyl]-2-methylpropanoate → HCID 178500094, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[OH:20])[O:21][CH2:22][CH:23]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][c:33]2[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]2)[cH:29][cH:30]1)[O:24]3.[CH3:41][O:42][C:43]([C:44]([CH2:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[cH:53][cH:54][c:55]([C:58]#[N:59])[cH:56][cH:57]2)[cH:50][cH:51]1)([CH3:60])[NH2:61])=[O:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:20])[NH:61][C:44]([C:43]([O:42][CH3:41])=[O:62])([CH2:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[cH:53][cH:54][c:55]([C:58]#[N:59])[cH:56][cH:57]2)[cH:50][cH:51]1)[CH3:60])[O:21][CH2:22][CH:23]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][c:33]2[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]2)[cH:29][cH:30]1)[O:24]3Participants
3
Sources & evidence
- ORD record
- ord-460ffb1e63474f1fac9da7a14264f505
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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