O-Xylene → HCID 18005196, compound
Reaction equation
[Br:22][c:23]1[cH:24][n:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:33]1.[F:1][c:2]1[c:3]([Sn:9]([CH2:10][CH2:11][CH2:12][CH3:13])([CH2:14][CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH2:20][CH3:21])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Pd:42].[c:100]1([P:101]([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)[cH:114][cH:115][cH:116][cH:117][cH:118]1.[c:34]1([CH3:35])[c:36]([CH3:37])[cH:38][cH:39][cH:40][cH:41]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[F:1][c:2]1[c:3](-[c:23]2[cH:24][n:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:33]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-eb6f82bc72924bfcb7ffd6534d2be635
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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