Acetonitrile → HCID 57666027, compound
Reaction equation
[Br:37][CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12](-[c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[cH:13][c:14]([CH:16]2[NH:17][CH:18]([C:22]([F:23])([F:24])[F:25])[CH2:19][CH2:20][CH2:21]2)[cH:15]1)=[O:36].[CH2:55]([N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68])[CH2:69][CH2:70][CH3:71].[CH3:72][C:73]#[N:74].[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[I-:54]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12](-[c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[cH:13][c:14]([CH:16]2[N:17]([CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:18]([C:22]([F:23])([F:24])[F:25])[CH2:19][CH2:20][CH2:21]2)[cH:15]1)=[O:36]Participants
8
Sources & evidence
- ORD record
- ord-36e9cbd2d6864eb99017ed219decb29c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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