Acetonitrile → HCID 69178014, compound
Reaction equation
[CH3:43][C:44]#[N:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:24][c:25]1[cH:26][cH:27][c:28]([F:33])[c:29]([C:30]#[N:31])[cH:32]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]([CH3:10])[NH:11][c:12]2[c:13]3[c:14]([n:15][cH:16][n:17]2)[CH2:18][CH2:19][NH:20][CH2:21]3)[cH:7][n:8]1)([F:22])[F:23]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]([CH3:10])[NH:11][c:12]2[c:13]3[c:14]([n:15][cH:16][n:17]2)[CH2:18][CH2:19][N:20]([c:28]2[cH:27][cH:26][c:25]([Cl:24])[cH:32][c:29]2[C:30]#[N:31])[CH2:21]3)[cH:7][n:8]1)([F:22])[F:23]Participants
5
Sources & evidence
- ORD record
- ord-199a4a623b7546c9ac4f534ddcae62c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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