Sodium ion → N-[2-cyano-5-[3-(dimethylamino)pyrrolidin-1-yl]-4-phenylphenyl]-2,2-dimethylpropanamide
Reaction equation
[C:24]([C:25]([CH3:26])([CH3:27])[CH3:28])(=[O:29])[Cl:30].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[NH2:1][c:2]1[c:3]([C:22]#[N:23])[cH:4][c:5](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:6]([N:8]2[CH2:9][CH:10]([N:13]([CH3:14])[CH3:15])[CH2:11][CH2:12]2)[cH:7]1.[Na+:38].[OH-:37].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[NH:1]([c:2]1[c:3]([C:22]#[N:23])[cH:4][c:5](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:6]([N:8]2[CH2:9][CH:10]([N:13]([CH3:14])[CH3:15])[CH2:11][CH2:12]2)[cH:7]1)[C:24]([C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29]Participants
7
Sources & evidence
- ORD record
- ord-5a2da2bd9de7484385fe234dd9bf6c32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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