Acetonitrile → HCID 57637305, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:22]2[c:23]3[c:24]([n:25]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[n:26]2)[cH:34][c:35]([CH2:37][OH:38])[s:36]3)[cH:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH2:20][Br:21])[cH:15][c:16]12.[CH2:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1.[CH3:54][C:55]#[N:56].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:22]2[c:23]3[c:24]([n:25]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[n:26]2)[cH:34][c:35]([CH2:37][OH:38])[s:36]3)[cH:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH2:20][N:51]3[CH2:50][CH2:49][CH2:48][CH2:53][CH2:52]3)[cH:15][c:16]12Participants
5
Sources & evidence
- ORD record
- ord-1de27d6644144e64af0a39595ae4f72c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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