Toluene → HCID 178499365, compound
Reaction equation
[Br:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([Cl:9])[c:6]([F:8])[cH:7]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:102]([Cl:103])([Cl:104])[Cl:105].[Cs+:37].[Cs+:38].[NH2:13][c:14]1[cH:15][c:16]([O:23][CH:24]([CH3:25])[c:26]2[c:27]([Cl:32])[cH:28][cH:29][cH:30][cH:31]2)[c:17]([C:19](=[O:20])[O:21][CH3:22])[s:18]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[c:2]1([NH:13][c:14]2[cH:15][c:16]([O:23][CH:24]([CH3:25])[c:26]3[c:27]([Cl:32])[cH:28][cH:29][cH:30][cH:31]3)[c:17]([C:19](=[O:20])[O:21][CH3:22])[s:18]2)[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([Cl:9])[c:6]([F:8])[cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-196b9f1ead68414780975fc8810d2e78
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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