Toluene → HCID 25108481, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:5][cH:6][cH:7]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:24][c:25]1[c:26]([F:38])[c:27](-[c:31]2[n:32][c:33]([NH2:37])[n:34][cH:35][cH:36]2)[cH:28][cH:29][cH:30]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:51].[Pd:52]>>[c:2]1([NH:37][c:33]2[n:32][c:31](-[c:27]3[c:26]([F:38])[c:25]([Cl:24])[cH:30][cH:29][cH:28]3)[cH:36][cH:35][n:34]2)[cH:3][c:4]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-66d3206a8cb448378ed2e5b0284a1004
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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