Acetonitrile → HCID 178491671, compound
Reaction equation
[C:1](=[O:2])([OH:3])[CH:4]1[N:5]([CH3:19])[CH2:6][CH:7]([S:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:8]1.[CH3:47][C:48]#[N:49].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[N+:27](=[O:28])([O-:29])[c:30]1[cH:31][cH:32][c:33]([CH2:34][O:35][C:36](=[O:37])[N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43][CH2:44]2)[cH:45][cH:46]1>>[C:1](=[O:3])([CH:4]1[N:5]([CH3:19])[CH2:6][CH:7]([S:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:8]1)[N:41]1[CH2:40][CH2:39][N:38]([C:36]([O:35][CH2:34][c:33]2[cH:32][cH:31][c:30]([N+:27](=[O:28])[O-:29])[cH:46][cH:45]2)=[O:37])[CH2:44][CH2:43][CH2:42]1Participants
6
Sources & evidence
- ORD record
- ord-4e0febb363c448029df11362915f3046
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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