Acetonitrile → HCID 74372195, compound
Reaction equation
[CH3:63][CH2:64][CH2:65][CH2:66][N+:67]([CH2:68][CH2:69][CH2:70][CH3:71])([CH2:72][CH2:73][CH2:74][CH3:75])[CH2:76][CH2:77][CH2:78][CH3:79].[CH3:80][C:81]#[N:82].[CH:1]1([N:4]([C:5](=[O:6])[CH:7]2[CH2:8][N:9]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:10][CH2:11][CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][O:22][c:23]3[c:24]([Cl:31])[cH:25][c:26]([CH3:30])[cH:27][c:28]3[Cl:29])[cH:17][cH:18]2)[CH2:39][c:40]2[cH:41][c:42]([O:51][CH2:52][C:53]([CH3:54])([CH3:55])[OH:56])[cH:43][c:44]([CH2:46][CH2:47][CH2:48][O:49][CH3:50])[cH:45]2)[CH2:2][CH2:3]1.[F-:62].[I:57][Si:58]([CH3:59])([CH3:60])[CH3:61]>>[CH:1]1([N:4]([C:5](=[O:6])[CH:7]2[CH2:8][NH:9][CH2:10][CH2:11][CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][O:22][c:23]3[c:24]([Cl:31])[cH:25][c:26]([CH3:30])[cH:27][c:28]3[Cl:29])[cH:17][cH:18]2)[CH2:39][c:40]2[cH:41][c:42]([O:51][CH2:52][C:53]([CH3:54])([CH3:55])[OH:56])[cH:43][c:44]([CH2:46][CH2:47][CH2:48][O:49][CH3:50])[cH:45]2)[CH2:2][CH2:3]1Participants
6
Sources & evidence
- ORD record
- ord-00c44b1476a0487da0fbb1d76724fb8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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