Acetonitrile → HCID 178475814, compound
Reaction equation
[CH2:79]1[O:80][CH2:81][CH2:82][CH2:83]1.[CH3:25][C:26]#[N:27].[CH3:50][C:51](=[O:52])[O:53][C:54](=[O:55])[CH3:56].[CH3:57][N:58]([c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1)[CH3:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C:10](=[O:11])[N:12]2[CH2:13][c:14]3[n:15]([n:18][c:19]([CH:21]=[O:22])[cH:20]3)[CH2:16][CH2:17]2)[cH:23][cH:24]1.[N+:28](=[O:29])([O-:30])[c:31]1[cH:32][cH:33][c:34]([CH2:35][O:36][C:37](=[O:38])[C:39]2=[CH:45][S:44][CH:43]3[N:40]2[C:41](=[O:47])[CH:42]3[Br:46])[cH:48][cH:49]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C:10](=[O:11])[N:12]2[CH2:13][c:14]3[n:15]([n:18][c:19]([CH:21]([O:22][C:51]([CH3:50])=[O:52])[C:42]4([Br:46])[C:41](=[O:47])[N:40]5[C:39]([C:37]([O:36][CH2:35][c:34]6[cH:33][cH:32][c:31]([N+:28](=[O:29])[O-:30])[cH:49][cH:48]6)=[O:38])=[CH:45][S:44][CH:43]54)[cH:20]3)[CH2:16][CH2:17]2)[cH:23][cH:24]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-637ae52123ef405099c7a0cfa35e2b21
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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