Acetonitrile → HCID 67279905, compound
Reaction equation
[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[CH3:45][C:46]#[N:47].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:26][c:27]1[cH:28][c:29]([CH2:30][Cl:31])[cH:32][cH:33][c:34]1[Cl:35].[I-:48].[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][C:13]3([c:16]4[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25]4)[CH2:14][CH2:15]3)[c:9]21>>[N:1]1([CH2:30][c:29]2[cH:28][c:27]([Cl:26])[c:34]([Cl:35])[cH:33][cH:32]2)[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][C:13]3([c:16]4[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25]4)[CH2:14][CH2:15]3)[c:9]21Participants
7
Sources & evidence
- ORD record
- ord-aaf57a7a570f451a9c5d57496302a3c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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