Acetonitrile → HCID 178491667, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[OH:29])[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:30][cH:31]1.[CH3:69][C:70]#[N:71].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[CH:72]([N:73]([CH:74]([CH3:75])[CH3:76])[CH2:77][CH3:78])([CH3:79])[CH3:80].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45].[N+:46](=[O:47])([O-:48])[c:49]1[cH:50][cH:51][c:52]([CH2:53][O:54][C:55](=[O:56])[O:57][CH2:58][CH2:59][N:60]2[CH2:61][CH2:62][NH:63][CH2:64][CH2:65][CH2:66]2)[cH:67][cH:68]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[N:63]3[CH2:62][CH2:61][N:60]([CH2:59][CH2:58][O:57][C:55]([O:54][CH2:53][c:52]4[cH:51][cH:50][c:49]([N+:46](=[O:47])[O-:48])[cH:68][cH:67]4)=[O:56])[CH2:66][CH2:65][CH2:64]3)[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:30][cH:31]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-b65a7c4f0e234ae786e71668b749c47a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…