1,4-Dioxane → HCID 58056548, compound
Reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][n:21][cH:22][c:23]([Br:25])[cH:24]2)[c:9]2[cH:10][cH:11][c:12]([Cl:15])[cH:13][c:14]12)=[O:26].[F:27][C:28]([c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1)([F:38])[F:39].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][n:21][cH:22][c:23](-[c:32]3[cH:31][cH:30][c:29]([C:28]([F:27])([F:38])[F:39])[cH:34][cH:33]3)[cH:24]2)[c:9]2[cH:10][cH:11][c:12]([Cl:15])[cH:13][c:14]12)=[O:26]Participants
5
Sources & evidence
- ORD record
- ord-c3923aaafe404ae4a0c7cf7a9e883642
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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