1,4-Dioxane → HCID 11443287, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH3:29])[c:4]([C:5](=[O:6])[NH:7][c:8]2[c:9]([O:16][C:17]([F:18])([F:19])[F:20])[cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[c:21]([OH:28])[c:22]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:23]1.[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[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>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:37][cH:36]2)[c:3]([CH3:29])[c:4]([C:5](=[O:6])[NH:7][c:8]2[c:9]([O:16][C:17]([F:18])([F:19])[F:20])[cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[c:21]([OH:28])[c:22]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:23]1Participants
5
Sources & evidence
- ORD record
- ord-ff293ac892c246c4a39b78946b9e27c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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