Isobutyramide → HCID 25007954, compound
Reaction equation
[C:26]([c:27]1[nH:28][cH:29][cH:30][n:31]1)([c:32]1[nH:33][cH:34][cH:35][n:36]1)=[O:37].[CH3:38][CH:39]([CH3:40])[C:41]([NH2:42])=[O:43].[CH3:44][C:45]([C:46](=[O:47])[O:48][CH3:49])([CH3:50])[N:51]1[CH2:52][CH2:53][CH:54]([NH:57][CH2:58][c:59]2[cH:60][cH:61][c:62](-[c:65]3[cH:66][cH:67][c:68]([C:71]([F:72])([F:73])[F:74])[cH:69][cH:70]3)[cH:63][cH:64]2)[CH2:55][CH2:56]1.[F:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[OH:25])[c:13]3[n:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[cH:20]2)[cH:4][cH:5][cH:6][c:7]1[F:8]>>[F:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[N:57]([CH:54]3[CH2:53][CH2:52][N:51]([C:45]([CH3:44])([C:46](=[O:47])[O:48][CH3:49])[CH3:50])[CH2:56][CH2:55]3)[CH2:58][c:59]3[cH:60][cH:61][c:62](-[c:65]4[cH:66][cH:67][c:68]([C:71]([F:72])([F:73])[F:74])[cH:69][cH:70]4)[cH:63][cH:64]3)[c:13]3[n:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[cH:20]2)[cH:4][cH:5][cH:6][c:7]1[F:8]Participants
5
Sources & evidence
- ORD record
- ord-600b06c414584a81b153be4dbbca395b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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