Toluene → HCID 22380933, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([O:12][c:13]3[c:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22][cH:23][c:24]([N+:26](=[O:27])[O-:28])[cH:25]3)[cH:8][c:9]2[cH:10][cH:11]1.[C-:47]#[N:48].[C-:50]#[N:51].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Zn+2:49].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1([C:42]#[N:43])[cH:3][c:4]2[cH:5][cH:6][c:7]([O:12][c:13]3[c:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22][cH:23][c:24]([N+:26](=[O:27])[O-:28])[cH:25]3)[cH:8][c:9]2[cH:10][cH:11]1Participants
8
Sources & evidence
- ORD record
- ord-f80d3e571df44ea384409ce203b8a601
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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