Toluene → HCID 59457554, compound
Reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([F:8])[cH:6][cH:7]1.[CH3:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Cl:9][c:10]1[c:11](-[c:22]2[c:23]([F:28])[cH:24][n:25][cH:26][cH:27]2)[n:12][cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]1.[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105]1>>[c:2]1(-[c:10]2[c:11](-[c:22]3[c:23]([F:28])[cH:24][n:25][cH:26][cH:27]3)[n:12][cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]3[CH2:20][CH2:21]3)[n:15]2)[n:3][cH:4][c:5]([F:8])[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-9b7d8f93325942d8b8e529afcca0b0f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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