Acetonitrile → HCID 178495355, compound
Reaction equation
[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH3:82][C:83]#[N:84].[CH3:85][CH2:86][O:87][C:88]([CH3:89])=[O:90].[N:25](=[N+:26]=[N-:27])[CH:28]([CH:29]([CH2:30][CH:31]([C:32](=[O:33])[OH:34])[CH:35]([CH3:36])[CH3:37])[O:38][Si:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:46][CH:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][c:52]1[cH:53][c:54]([O:60][CH2:61][CH2:62][CH2:63][O:64][CH3:65])[c:55]([O:58][CH3:59])[cH:56][cH:57]1.[NH2:66][CH2:67][CH2:68][N:69]1[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[N:25](=[N+:26]=[N-:27])[CH:28]([CH:29]([CH2:30][CH:31]([C:32](=[O:33])[NH:66][CH2:67][CH2:68][N:69]1[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1)[CH:35]([CH3:36])[CH3:37])[O:38][Si:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:46][CH:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][c:52]1[cH:53][c:54]([O:60][CH2:61][CH2:62][CH2:63][O:64][CH3:65])[c:55]([O:58][CH3:59])[cH:56][cH:57]1Participants
8
Sources & evidence
- ORD record
- ord-6076a41dc4df484db5e25cb95855d72e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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