Toluene → HCID 58961287, compound
Reaction equation
[CH2:17]([CH2:18][CH2:30][CH3:31])[C:19]([Sn:20])=[C:21]([CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][CH3:29].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][c:13]([I:16])[cH:14][cH:15]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][c:13]([CH:17]=[CH2:18])[cH:14][cH:15]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-676b893aafc0403db3b529f54a005865
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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