Acetonitrile → HCID 178431538, compound
Reaction equation
[CH2:8]1[CH2:9][CH2:10][C:11]2=[N:16][CH2:15][CH2:14][CH2:13][N:12]2[CH2:17][CH2:18]1.[CH3:19][N:20]([C:21](=[O:22])[NH:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[n:31][c:32]([CH2:43][O:44][S:45]([CH3:46])(=[O:47])=[O:48])[cH:33][c:34]([N:36]3[CH:37]([CH3:42])[CH2:38][O:39][CH2:40][CH2:41]3)[n:35]2)[cH:28][cH:29]1)[CH3:49].[CH3:50][C:51]#[N:52].[SH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[S:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:43][c:32]1[n:31][c:30](-[c:27]2[cH:26][cH:25][c:24]([NH:23][C:21]([N:20]([CH3:19])[CH3:49])=[O:22])[cH:29][cH:28]2)[n:35][c:34]([N:36]2[CH:37]([CH3:42])[CH2:38][O:39][CH2:40][CH2:41]2)[cH:33]1Participants
5
Sources & evidence
- ORD record
- ord-537e30e4a70a402eb7f58fef4e1b249b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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