Toluene → HCID 178427823, compound
Reaction equation
[C:76](=[O:77])([O-:78])[O-:79].[CH2:1]1[CH:2]2[N:3]([CH2:4][CH:5]([CH2:7][OH:8])[NH:6]1)[CH2:9][CH2:10][CH2:11]2.[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH:48]1([P:49]([CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2-[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[N:68]([CH3:69])[CH3:70])[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1.[Cs+:80].[Cs+:81].[F:12][C:13]([c:14]1[cH:15][c:16]([C:24]([C:25](=[O:26])[N:27]([CH3:28])[c:29]2[cH:30][n:31][c:32]([Cl:43])[cH:33][c:34]2-[c:35]2[c:36]([CH3:42])[cH:37][c:38]([F:41])[cH:39][cH:40]2)([CH3:44])[CH3:45])[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1)([F:46])[F:47]>>[CH2:1]1[CH:2]2[N:3]([CH2:4][CH:5]([CH2:7][OH:8])[N:6]1[c:32]1[n:31][cH:30][c:29]([N:27]([C:25]([C:24]([c:16]3[cH:15][c:14]([C:13]([F:12])([F:46])[F:47])[cH:19][c:18]([C:20]([F:21])([F:22])[F:23])[cH:17]3)([CH3:44])[CH3:45])=[O:26])[CH3:28])[c:34](-[c:35]3[c:36]([CH3:42])[cH:37][c:38]([F:41])[cH:39][cH:40]3)[cH:33]1)[CH2:9][CH2:10][CH2:11]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-fcb41f2590a1408d80a2afbc87ad4b71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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