1,4-Dioxane → HCID 178435388, compound
Reaction equation
[CH2:32]([CH2:33][CH2:45][CH3:46])[Sn:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH:43]=[CH2:44].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]2[CH2:9][CH:10]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH:11]([c:13]2[c:14]([F:21])[cH:15][c:16]([F:20])[c:17]([F:19])[cH:18]2)[CH2:12]3)[cH:30][n:31]1.[O:124]1[CH2:125][CH2:126][O:127][CH2:128][CH2:129]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>>[c:2]1([CH:32]=[CH2:33])[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]2[CH2:9][CH:10]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH:11]([c:13]2[c:14]([F:21])[cH:15][c:16]([F:20])[c:17]([F:19])[cH:18]2)[CH2:12]3)[cH:30][n:31]1Participants
5
Sources & evidence
- ORD record
- ord-0ac450b48d11470eaafcf2dc030cec83
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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