Acetonitrile → HCID 178475815, compound
Reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][C:42](=[O:43])[O:44][C:45](=[O:46])[CH3:47].[CH3:48][C:49]#[N:50].[N+:12](=[O:13])([O-:14])[c:15]1[cH:16][cH:17][c:18]([CH2:19][O:20][C:21](=[O:22])[C:23]2=[CH:29][S:28][CH:27]3[N:24]2[C:25](=[O:31])[CH:26]3[Br:30])[cH:32][cH:33]1.[n:1]1[c:2]([CH:10]=[O:11])[cH:3][c:4]2[n:9]1[CH2:8][CH2:7][O:6][CH2:5]2>>[n:1]1[c:2]([CH:10]([O:11][C:42]([CH3:41])=[O:43])[C:26]2([Br:30])[C:25](=[O:31])[N:24]3[C:23]([C:21]([O:20][CH2:19][c:18]4[cH:17][cH:16][c:15]([N+:12](=[O:13])[O-:14])[cH:33][cH:32]4)=[O:22])=[CH:29][S:28][CH:27]32)[cH:3][c:4]2[n:9]1[CH2:8][CH2:7][O:6][CH2:5]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-6364c44a6a004ecc8305570252e18b80
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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