Acetonitrile → HCID 178485226, compound
Reaction equation
[CH3:1][NH:2][C:3](=[O:4])[C:5]12[CH:6]([OH:50])[CH:7]([OH:49])[CH:8]([n:11]3[c:12]4[n:13][c:14]([Cl:48])[n:15][c:16]([NH:20][CH2:21][c:22]5[cH:23][c:24]([C:28]#[C:29][CH2:30][CH2:31][CH2:32][c:33]6[n:34][n:35][n:36](-[c:38]7[cH:39][c:40]([N+:45]([O-:46])=[O:47])[c:41]([F:44])[cH:42][cH:43]7)[cH:37]6)[cH:25][cH:26][cH:27]5)[c:17]4[n:18][cH:19]3)[CH:9]1[CH2:10]2.[CH3:51][C:52]#[N:53].[Zn:54]>>[CH3:1][NH:2][C:3](=[O:4])[C:5]12[CH:6]([OH:50])[CH:7]([OH:49])[CH:8]([n:11]3[c:12]4[n:13][c:14]([Cl:48])[n:15][c:16]([NH:20][CH2:21][c:22]5[cH:23][c:24]([C:28]#[C:29][CH2:30][CH2:31][CH2:32][c:33]6[n:34][n:35][n:36](-[c:38]7[cH:39][c:40]([NH2:45])[c:41]([F:44])[cH:42][cH:43]7)[cH:37]6)[cH:25][cH:26][cH:27]5)[c:17]4[n:18][cH:19]3)[CH:9]1[CH2:10]2Participants
4
Sources & evidence
- ORD record
- ord-f4059a09f99b4d109dabd61f4fda7004
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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