Toluene → HCID 22287349, compound
Reaction equation
[Br:16][c:17]1[c:18]([NH:36][C:37]([C:38]([C:39]([F:40])([F:41])[F:42])([CH3:43])[OH:44])=[O:45])[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]2)[cH:22]1.[CH2:1]([CH2:2][CH2:14][CH3:15])[C:3]([Sn:4])=[C:5]([CH2:6][CH2:7][CH2:8][CH3:9])[CH2:10][CH2:11][CH2:12][CH3:13].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:53].[Pd:54]>>[CH:1](=[CH2:2])[c:17]1[c:18]([NH:36][C:37]([C:38]([C:39]([F:40])([F:41])[F:42])([CH3:43])[OH:44])=[O:45])[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]2)[cH:22]1Participants
6
Sources & evidence
- ORD record
- ord-0eda6e9ba9054868a3dc35f27e50f3c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…