Toluene → HCID 21934235, compound
Reaction equation
[CH3:22][S:23][c:24]1[cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[F:1][C:2]([CH2:3][n:4]1[n:5][cH:6][c:7]([O:12][S:13]([C:14]([F:15])([F:16])[F:17])(=[O:18])=[O:19])[c:8]([Cl:11])[c:9]1=[O:10])([F:20])[F:21].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([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)[cH:122][cH:123]1>>[F:1][C:2]([CH2:3][n:4]1[n:5][cH:6][c:7](-[c:27]2[cH:26][cH:25][c:24]([S:23][CH3:22])[cH:29][cH:28]2)[c:8]([Cl:11])[c:9]1=[O:10])([F:20])[F:21]Participants
6
Sources & evidence
- ORD record
- ord-40583bc8be6044a0a0db44a9d1835e2b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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