Water → 4-amino-N-[2-[4-(4-carbamoyl-3-fluorophenyl)phenyl]-1-cyanoethyl]oxane-4-carboxamide
Reaction equation
[C:1]([NH2:2])(=[O:3])[c:4]1[c:5]([F:37])[cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][CH:17]([C:18]#[N:19])[NH:20][C:21](=[O:22])[C:23]3([NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:14][cH:15]2)[cH:8][cH:9]1.[CH3:39][C:40]#[N:41].[OH2:38]>>[C:1]([NH2:2])(=[O:3])[c:4]1[c:5]([F:37])[cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][CH:17]([C:18]#[N:19])[NH:20][C:21](=[O:22])[C:23]3([NH2:29])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:14][cH:15]2)[cH:8][cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-21e1fd529c6c4838a136418a29918fcd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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