Toluene → HCID 178420325, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH:15]3[CH2:16][N:17]4[CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22]4)[n:12][n:13]2)[cH:6][cH:7]1.[C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[NH:36].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:50].[Pd:51]>>[c:2]1([N:36]=[C:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH:15]3[CH2:16][N:17]4[CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22]4)[n:12][n:13]2)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-bd667329385c4bd8a58cc6b211bbf539
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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