Acetonitrile → HCID 178491669, 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:15](=[O:16])[OH:17])[N:12]([CH3:14])[CH2:13]2)[cH:18][cH:19]1.[CH3:66][C:67]#[N:68].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[CH:69]([N:70]([CH:71]([CH3:72])[CH3:73])[CH2:74][CH3:75])([CH3:76])[CH3:77].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[N+:27](=[O:28])([O-:29])[c:30]1[cH:31][cH:32][c:33]([CH2:34][O:35][C:36](=[O:37])[N:38]=[C:39]([NH:40][CH2:41][C:42](=[O:43])[NH:44][CH:45]2[CH2:46][NH:47][CH2:48][CH2:49]2)[NH:50][C:51](=[O:52])[O:53][CH2:54][c:55]2[cH:56][cH:57][c:58]([N+:61](=[O:62])[O-:63])[cH:59][cH:60]2)[cH:64][cH:65]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:15](=[O:17])[N:47]3[CH2:46][CH:45]([NH:44][C:42]([CH2:41][NH:40][C:39](=[N:38][C:36]([O:35][CH2:34][c:33]4[cH:32][cH:31][c:30]([N+:27](=[O:28])[O-:29])[cH:65][cH:64]4)=[O:37])[NH:50][C:51](=[O:52])[O:53][CH2:54][c:55]4[cH:56][cH:57][c:58]([N+:61](=[O:62])[O-:63])[cH:59][cH:60]4)=[O:43])[CH2:49][CH2:48]3)[N:12]([CH3:14])[CH2:13]2)[cH:18][cH:19]1Participants
7
Sources & evidence
- ORD record
- ord-57b9812e505146a7b2d1ea552f78d18a
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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