1,4-Dioxane → HCID 59164441, compound
Reaction equation
[CH2:20]([Sn:21]([CH2:22][CH2:23][CH2:24][CH3:33])([c:25]1[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]1)[CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH3:40].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([CH3:17])=[O:18])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[c:8]([I:10])[cH:9]1)=[O:19].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[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>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([CH3:17])=[O:18])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[c:8](-[c:25]2[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]2)[cH:9]1)=[O:19]Participants
5
Sources & evidence
- ORD record
- ord-3513da5bf5bc49e8898ed783f4bedb8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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