Acetonitrile → HCID 59557927, compound
Reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH2:9][C:10](=[O:11])[OH:12].[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[CH3:13][CH2:14][N:15]=[C:16]=[N:17][CH2:18][CH2:19][CH2:20][N:21]([CH3:22])[CH3:23].[CH3:82][C:83]#[N:84].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[NH2:43][CH2:44][c:45]1[cH:46][cH:47][c:48](-[n:51]2[n:52][c:53]([C:73]([CH3:74])([CH3:75])[CH3:76])[cH:54][c:55]2[NH:56][C:57](=[O:58])[NH:59][c:60]2[cH:61][cH:62][c:63]([O:66][c:67]3[cH:68][cH:69][n:70][cH:71][cH:72]3)[cH:64][cH:65]2)[cH:49][cH:50]1.[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH2:9][C:10](=[O:12])[NH:43][CH2:44][c:45]1[cH:46][cH:47][c:48](-[n:51]2[n:52][c:53]([C:73]([CH3:74])([CH3:75])[CH3:76])[cH:54][c:55]2[NH:56][C:57](=[O:58])[NH:59][c:60]2[cH:61][cH:62][c:63]([O:66][c:67]3[cH:68][cH:69][n:70][cH:71][cH:72]3)[cH:64][cH:65]2)[cH:49][cH:50]1Participants
8
Sources & evidence
- ORD record
- ord-398d346a43824e1c9a0984285cc4acb0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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