Diethyl Ether → HCID 5279125, compound
Reaction equation
[CH3:30][O:31][c:32]1[c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38][c:39]([N+:41](=[O:42])[O-:43])[cH:40]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:80][CH2:81][O:82][CH2:83][CH3:84].[Cl:1][c:2]1[cH:3][c:4]([C:28]([NH:7][CH:8]2[N:9]=[C:10]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:11]3[c:12]([cH:16][cH:17][cH:18][cH:19]3)[NH:13][C:14]2=[O:15])=[O:29])[cH:5][cH:6][c:26]1[Cl:27].[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1.[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[NH:7]([CH:8]1[N:9]=[C:10]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:11]2[c:12]([cH:16][cH:17][cH:18][cH:19]2)[NH:13][C:14]1=[O:15])[C:34]([c:33]1[c:32]([O:31][CH3:30])[cH:40][c:39]([N+:41](=[O:42])[O-:43])[cH:38][cH:37]1)=[O:36]Participants
8
Sources & evidence
- ORD record
- ord-e48c41a464e64ad9909a6b0e25adbd28
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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