Acetonitrile → HCID 66815771, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[cH:12][c:13]([C:17](=[O:18])[OH:19])[cH:14][cH:15][c:16]21.[CH3:64][C:65]#[N:66].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[NH2:53][c:54]1[cH:55][n:56][c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[cH:63]1.[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[cH:12][c:13]([C:17](=[O:19])[NH:53][c:54]3[cH:55][n:56][c:57]4[cH:58][cH:59][cH:60][cH:61][c:62]4[cH:63]3)[cH:14][cH:15][c:16]21Participants
7
Sources & evidence
- ORD record
- ord-eaa038be70f1422b85ad1e21ba5bc72c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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