Toluene → HCID 44612352, compound
Reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([NH:16][CH3:17])=[O:18])[CH2:13][CH2:14]2)[cH:7]1.[Cs+:34].[Cs+:35].[NH2:19][c:20]1[n:21][cH:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[cH:29]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:49].[Pd:50]>>[c:2]1([NH:19][c:20]2[n:21][cH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[cH:29]2)[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([NH:16][CH3:17])=[O:18])[CH2:13][CH2:14]2)[cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-2b557982df3044719eae6e9fcc3d671f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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