Acetonitrile → HCID 69080600, compound
Reaction equation
[C:38]([C:39]([CH3:40])([CH3:41])[CH3:42])(=[O:43])[O:44][CH2:45][Cl:46].[CH3:47][C:48]#[N:49].[Cl:12][c:13]1[c:14]([NH:30][n:31]2[c:32]([CH3:37])[cH:33][cH:34][c:35]2[CH3:36])[cH:15][c:16]2[c:21]([cH:22]1)[N:20]([CH2:23][CH3:24])[C:19](=[O:25])[CH:18]([C:26](=[O:27])[OH:28])[C:17]2=[O:29].[N:1]12[CH2:2][CH2:3][CH2:4][N:5]=[C:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]2>>[Cl:12][c:13]1[c:14]([NH:30][n:31]2[c:32]([CH3:37])[cH:33][cH:34][c:35]2[CH3:36])[cH:15][c:16]2[c:21]([cH:22]1)[N:20]([CH2:23][CH3:24])[C:19](=[O:25])[CH:18]([C:26](=[O:27])[O:28][CH2:45][O:44][C:38]([C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[C:17]2=[O:29]Participants
5
Sources & evidence
- ORD record
- ord-b5ce8965dc194016b07d8614f3f94c50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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