Acetonitrile → HCID 77302527, compound
Reaction equation
[CH3:1][Si:2]([CH2:3][CH2:4][O:5][CH2:6][N:7]([c:8]1[cH:9][c:10]([CH:29]2[CH2:30][CH2:31][N:32]([c:35]3[n:36][n:37][c:38]([CH:40]([CH3:41])[OH:42])[o:39]3)[CH2:33][CH2:34]2)[n:11][c:12]2[n:13]1[n:14][cH:15][c:16]2-[c:17]1[cH:18][n:19][c:20](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:21][cH:22]1)[CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:48])([CH3:49])[CH3:50])([CH3:51])[CH3:52].[CH3:61][C:62]#[N:63].[O:53]=[C:54]1[N:55]([Br:60])[C:56](=[O:57])[CH2:58][CH2:59]1>>[CH3:1][Si:2]([CH2:3][CH2:4][O:5][CH2:6][N:7]([c:8]1[c:9]([Br:60])[c:10]([CH:29]2[CH2:30][CH2:31][N:32]([c:35]3[n:36][n:37][c:38]([CH:40]([CH3:41])[OH:42])[o:39]3)[CH2:33][CH2:34]2)[n:11][c:12]2[n:13]1[n:14][cH:15][c:16]2-[c:17]1[cH:18][n:19][c:20](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:21][cH:22]1)[CH2:43][O:44][CH2:45][CH2:46][Si:47]([CH3:48])([CH3:49])[CH3:50])([CH3:51])[CH3:52]Participants
4
Sources & evidence
- ORD record
- ord-351ddc5d44f047c3bdd50d83bc64b65d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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