Acetonitrile → HCID 68862214, 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][CH:20]1[CH2:21][O:22][CH2:23][CH2:24][N:25]1[c:26]1[n:27][c:28](-[c:38]2[cH:39][cH:40][c:41]([NH:44][C:45](=[O:46])[NH:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[cH:42][cH:43]2)[n:29][c:30]([CH2:32][O:33][S:34]([CH3:35])(=[O:36])=[O:37])[cH:31]1.[CH3:54][C:55]#[N:56].[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)[CH2:32][c:30]1[n:29][c:28](-[c:38]2[cH:39][cH:40][c:41]([NH:44][C:45](=[O:46])[NH:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[cH:42][cH:43]2)[n:27][c:26]([N:25]2[CH:20]([CH3:19])[CH2:21][O:22][CH2:23][CH2:24]2)[cH:31]1Participants
5
Sources & evidence
- ORD record
- ord-11d082cfcf2b4688b4d81f0e012783ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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