Water → HCID 21073054, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([O:13][c:14]2[c:15]([N:21]([C:22]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])=[O:28])[CH2:29][c:30]3[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]3)[cH:16][cH:17][c:18]([Cl:20])[cH:19]2)[cH:37][cH:38][cH:39]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[F:40][c:41]1[c:42]([CH2:43][NH2:44])[cH:45][cH:46][cH:47][cH:48]1.[OH2:66].[P:49]([C:50]#[N:51])([O:52][CH2:53][CH3:54])([O:55][CH2:56][CH3:57])=[O:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([O:13][c:14]2[c:15]([N:21]([C:22]([CH2:23][CH2:24][C:25](=[O:27])[NH:44][CH2:43][c:42]3[c:41]([F:40])[cH:48][cH:47][cH:46][cH:45]3)=[O:28])[CH2:29][c:30]3[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]3)[cH:16][cH:17][c:18]([Cl:20])[cH:19]2)[cH:37][cH:38][cH:39]1Participants
7
Sources & evidence
- ORD record
- ord-4f5bccfaa75143fe837210ab097284ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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