Toluene → HCID 86602345, compound
Reaction equation
[C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)=[NH:49].[C:96](=[O:97])([O-:98])[O-:99].[CH3:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[CH3:109][CH2:110][O:111][CH2:112][CH3:113].[Cs+:100].[Cs+:101].[F:1][C:2]([S:3]([O:4][c:9]1[cH:10][cH:11][c:12]([C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[C:21](=[O:33])[N:20]([CH3:34])[C:19]2=[O:35])[c:13]2[o:14][cH:15][cH:16][c:17]12)(=[O:5])=[O:6])([F:7])[F:8].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][c:61]3[c:62]([cH:63][cH:64][cH:65][cH:66]3)[c:67]2-[c:68]2[c:69]3[c:70]([cH:71][cH:72][cH:73][cH:74]3)[cH:75][cH:76][c:77]2[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[c:9]1([N:49]=[C:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:10][cH:11][c:12]([C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[C:21](=[O:33])[N:20]([CH3:34])[C:19]2=[O:35])[c:13]2[o:14][cH:15][cH:16][c:17]12Participants
8
Sources & evidence
- ORD record
- ord-1f32de0f5060449085eac1e92b1b8d1b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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