Methyl 2-amino-3-[4-(4-cyanophenyl)phenyl]-2-methylpropanoate → HCID 178438951, compound
Reaction equation
[CH3:45][O:46][C:47]([C:48]([CH2:49][c:50]1[cH:51][cH:52][c:53](-[c:56]2[cH:57][cH:58][c:59]([C:62]#[N:63])[cH:60][cH:61]2)[cH:54][cH:55]1)([CH3:64])[NH2:65])=[O:66].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[C:14](=[O:40])[N:15]([CH3:39])[c:16]4[cH:17][c:18]5[c:23]([cH:24][c:25]4[O:26]3)[CH2:22][N:21]([CH:27]([CH2:28][CH3:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH:20]([C:36](=[O:37])[OH:38])[CH2:19]5)[cH:11][cH:12]2)[cH:41][cH:42][c:43]1[Cl:44]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[C:14](=[O:40])[N:15]([CH3:39])[c:16]4[cH:17][c:18]5[c:23]([cH:24][c:25]4[O:26]3)[CH2:22][N:21]([CH:27]([CH2:28][CH3:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH:20]([C:36](=[O:37])[NH:65][C:48]([C:47]([O:46][CH3:45])=[O:66])([CH2:49][c:50]3[cH:51][cH:52][c:53](-[c:56]4[cH:57][cH:58][c:59]([C:62]#[N:63])[cH:60][cH:61]4)[cH:54][cH:55]3)[CH3:64])[CH2:19]5)[cH:11][cH:12]2)[cH:41][cH:42][c:43]1[Cl:44]Participants
3
Sources & evidence
- ORD record
- ord-8596697bb9da4f3280e9acba32821933
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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