Toluene → HCID 69515353, compound
Reaction equation
[Br:53][c:54]1[n:55][cH:56][cH:57][cH:58][n:59]1.[C:47](=[O:48])([O-:49])[O-:50].[CH3:60][O:61][C:62](=[O:63])[c:64]1[c:65]([S:70][CH2:71][c:72]2[cH:73][cH:74][c:75]([Cl:78])[cH:76][cH:77]2)[n:66][s:67][c:68]1[NH2:69].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:106](=[CH:107][C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)=[O:117])[c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH:124](=[CH:125][C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)=[O:135])[c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[CH:88](=[CH:89][C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)=[O:99])[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Cs+:51].[Cs+:52].[Pd:86].[Pd:87].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[c:54]1([NH:69][c:68]2[c:64]([C:62]([O:61][CH3:60])=[O:63])[c:65]([S:70][CH2:71][c:72]3[cH:73][cH:74][c:75]([Cl:78])[cH:76][cH:77]3)[n:66][s:67]2)[n:55][cH:56][cH:57][cH:58][n:59]1Participants
9
Sources & evidence
- ORD record
- ord-b62e28e913dd4e7585acc12d484b08db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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