Acetonitrile → HCID 178502187, compound
Reaction equation
[CH3:27][O:28][C:29](=[O:30])[NH:31][CH:32]([CH:33]([CH3:34])[CH3:35])[C:36](=[O:37])[N:38]1[CH:39]([C:40](=[O:41])[O:42][CH2:43][C:44](=[O:45])[c:46]2[cH:47][cH:48][c:49](-[c:52]3[cH:53][cH:54][c:55]([C:58]([CH2:59][Br:60])=[O:61])[cH:56][cH:57]3)[cH:50][cH:51]2)[CH2:62][CH2:63][CH2:64]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:72][C:73]#[N:74].[F:1][C:2]1([F:26])[CH2:3][CH2:4][C:5]2([CH2:6][CH:7]([C:21](=[O:22])[OH:23])[N:8]([C:10]([CH:11]([NH:12][C:13](=[O:14])[O:15][CH3:16])[CH:17]([CH3:18])[CH3:19])=[O:20])[CH2:9]2)[CH2:24][CH2:25]1>>[F:1][C:2]1([F:26])[CH2:3][CH2:4][C:5]2([CH2:6][CH:7]([C:21](=[O:22])[O:23][CH2:59][C:58]([c:55]3[cH:54][cH:53][c:52](-[c:49]4[cH:48][cH:47][c:46]([C:44]([CH2:43][O:42][C:40]([CH:39]5[N:38]([C:36]([CH:32]([NH:31][C:29]([O:28][CH3:27])=[O:30])[CH:33]([CH3:34])[CH3:35])=[O:37])[CH2:64][CH2:63][CH2:62]5)=[O:41])=[O:45])[cH:51][cH:50]4)[cH:57][cH:56]3)=[O:61])[N:8]([C:10]([CH:11]([NH:12][C:13](=[O:14])[O:15][CH3:16])[CH:17]([CH3:18])[CH3:19])=[O:20])[CH2:9]2)[CH2:24][CH2:25]1Participants
5
Sources & evidence
- ORD record
- ord-20481070b9d947848f906b55f039f508
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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