Toluene → HCID 59596491, compound
Reaction equation
[Br:33][c:34]1[cH:35][c:36]([Cl:41])[c:37]([NH2:38])[cH:39][cH:40]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:16][S:17]([C:18]([F:19])([F:20])[C:21]([F:22])([F:23])[C:24]([F:25])([F:26])[C:27]([F:28])([F:29])[F:30])(=[O:31])=[O:32])[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[n:14]1[CH3:15].[CH2:42]1[CH2:43][CH2:44][C:45]2=[N:50][CH2:49][CH2:48][CH2:47][N:46]2[CH2:51][CH2:52]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:66].[Pd:67]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([NH:38][c:37]2[c:36]([Cl:41])[cH:35][c:34]([Br:33])[cH:40][cH:39]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[n:14]1[CH3:15]Participants
8
Sources & evidence
- ORD record
- ord-a182aa3fd9fa4a9da734a0ddd3e6b5e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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