Toluene → HCID 21182817, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[c:7]3[c:8]([s:9][c:10]2-[c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][N:20]4[CH2:21][CH2:22][CH2:23][CH2:24]4)[cH:15][cH:16]2)[cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[cH:31][cH:32][c:33]1[CH2:34][N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[CH3:40][Sn:41]([CH3:42])([CH3:43])[CH3:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[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:2]1([CH3:40])[cH:3][c:4]([CH2:5][c:6]2[c:7]3[c:8]([s:9][c:10]2-[c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][N:20]4[CH2:21][CH2:22][CH2:23][CH2:24]4)[cH:15][cH:16]2)[cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[cH:31][cH:32][c:33]1[CH2:34][N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1Participants
7
Sources & evidence
- ORD record
- ord-b91c8c8edb4e4c2eb5998608641061f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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