Acetonitrile → HCID 178447072, compound
Reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[NH:33][CH:34]([CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[C:42](=[O:43])[OH:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53]#[N:54].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH2:8][CH:9]([CH:10]=[CH2:11])[CH:12]([CH3:13])[CH3:14])[OH:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[CH2:20][c:21]1[n:22][cH:23][nH:24][cH:25]1>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH2:8][CH:9]([CH:10]=[CH2:11])[CH:12]([CH3:13])[CH3:14])[OH:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[CH2:20][c:21]1[n:22][cH:23][nH:24][cH:25]1)[C:42]([CH:34]([NH:33][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:43]Participants
5
Sources & evidence
- ORD record
- ord-0e881435160c4fc79244c2ad8b34569f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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