Acetonitrile → HCID 72989475, compound
Reaction equation
[CH2:60]([Cl:61])[Cl:62].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:63][C:64]#[N:65].[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[Cl:26][C:27]([Cl:28])([O:29][C:30]([O:31][C:32]([Cl:33])([Cl:34])[Cl:35])=[O:36])[Cl:37].[F:8][C:9]([c:10]1[cH:11][c:12]([CH:20]([CH3:21])[NH:22][CH3:23])[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)([F:24])[F:25].[c:38]1([CH:44]2[C:45]3([OH:50])[CH2:46][CH:47]3[CH2:48][NH:49]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[F:8][C:9]([c:10]1[cH:11][c:12]([CH:20]([CH3:21])[N:22]([CH3:23])[C:30](=[O:36])[N:49]2[CH:44]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[C:45]3([OH:50])[CH2:46][CH:47]3[CH2:48]2)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)([F:24])[F:25]Participants
8
Sources & evidence
- ORD record
- ord-2d0ff9fbdd2946c29e9deb87ce4330d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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