Toluene → HCID 21979863, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH:12]([O:15][c:16]2[c:17]3[c:18]([Br:26])[cH:19][n:20][cH:21][c:22]3[cH:23][cH:24][cH:25]2)[CH2:13][CH2:14]1.[C:42]([c:43]1[c:44]([OH:45])[c:46]([C:47]([CH3:48])([CH3:49])[CH3:50])[cH:51][c:52]([CH3:53])[cH:54]1)([CH3:55])([CH3:56])[CH3:57].[CH2:27]([CH2:28][CH2:40][CH3:41])[C:29]([Sn:30])=[C:31]([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH:12]([O:15][c:16]2[c:17]3[c:18]([CH:27]=[CH2:28])[cH:19][n:20][cH:21][c:22]3[cH:23][cH:24][cH:25]2)[CH2:13][CH2:14]1Participants
6
Sources & evidence
- ORD record
- ord-195da7d87027440f9e543a316d9912b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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