Acetonitrile → HCID 178476109, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:38]([CH3:39])[CH3:40])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([Br:37])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[C:41]([CH2:42][CH:43]=[CH2:44])(=[O:45])[OH:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][c:60]1[P:61]([c:62]1[cH:63][cH:64][cH:65][cH:66][c:67]1[CH3:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][c:74]1[CH3:75].[CH3:76][C:77]#[N:78]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:38]([CH3:39])[CH3:40])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([CH:44]=[CH:43][CH2:42][C:41](=[O:45])[OH:46])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]Participants
6
Sources & evidence
- ORD record
- ord-5a5392f5301549568907dd5da8735942
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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