Toluene → HCID 22678636, compound
Reaction equation
[CH2:32]([Sn:33]([CH2:34][CH2:35][CH2:36][CH3:42])([c:37]1[s:38][cH:39][cH:40][n:41]1)[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([CH2:16][CH2:17][c:18]2[c:19]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[n:20][cH:21][cH:22][cH:23]2)[CH2:14][CH2:15]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([CH2:16][CH2:17][c:18]2[c:19](-[c:37]3[s:38][cH:39][cH:40][n:41]3)[n:20][cH:21][cH:22][cH:23]2)[CH2:14][CH2:15]1Participants
5
Sources & evidence
- ORD record
- ord-fa69374978394c04bf1e56e8ef129969
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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