Acetonitrile → HCID 178447046, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[C:6]([CH3:7])[CH:8]=[CH:9][CH:10]1[C:11]([CH3:13])([c:14]2[cH:15][c:16]([CH2:25][CH2:26][CH:27]([CH2:28][CH2:29][CH2:30][CH3:31])[OH:32])[c:17]3[c:18]([cH:24]2)[C:19]([CH3:22])([CH3:23])[CH2:20][O:21]3)[CH2:12]1)=[O:33].[CH3:68][N+:69]1([O-:70])[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[CH3:76][C:77]#[N:78].[Cl:65][CH2:66][Cl:67].[OH:34][CH:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][c:42]1[c:43]2[c:49]([cH:50][c:51]([C:52]3([CH3:53])[CH2:54][CH:55]3[CH:56]=[CH:57][C:58]([CH3:59])=[CH:60][C:61]([OH:62])=[O:63])[cH:64]1)[C:46]([CH3:47])([CH3:48])[CH2:45][O:44]2>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[C:6]([CH3:7])[CH:8]=[CH:9][CH:10]1[C:11]([CH3:13])([c:14]2[cH:15][c:16]([CH2:25][CH2:26][C:27]([CH2:28][CH2:29][CH2:30][CH3:31])=[O:32])[c:17]3[c:18]([cH:24]2)[C:19]([CH3:22])([CH3:23])[CH2:20][O:21]3)[CH2:12]1)=[O:33]Participants
6
Sources & evidence
- ORD record
- ord-4aa89fed9743424b9665398f2909f8d4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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