Toluene → HCID 131724068, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:17]([O:18][SiH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25])[cH:5][c:6]([C:8]([O:9][SiH2:10][C:11]([CH3:12])([CH3:13])[CH3:14])([CH3:15])[CH3:16])[cH:7]1.[C-:38]#[N:39].[C-:41]#[N:42].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Zn+2:40].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1([C:26]#[N:27])[cH:3][c:4]([C:17]([O:18][SiH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25])[cH:5][c:6]([C:8]([O:9][SiH2:10][C:11]([CH3:12])([CH3:13])[CH3:14])([CH3:15])[CH3:16])[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-a2d8fbca35154bc5a9d41d80658d7124
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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