1,4-Dioxane → HCID 68755976, compound
Reaction equation
[Br:1][c:2]1[c:3]([C:10]#[N:11])[cH:4][s:5][c:6]1[N+:7](=[O:8])[O-:9].[CH2:12]([Sn:13]([CH2:14][CH2:15][CH2:16][CH3:17])([CH2:18][CH2:19][CH2:20][CH3:21])[c:25]1[n:26][cH:27][cH:28][n:29][cH:30]1)[CH2:22][CH2:23][CH3:24].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[c:2]1(-[c:25]2[n:26][cH:27][cH:28][n:29][cH:30]2)[c:3]([C:10]#[N:11])[cH:4][s:5][c:6]1[N+:7](=[O:8])[O-:9]Participants
5
Sources & evidence
- ORD record
- ord-144f4f50d8f64c88a9d23e9736029ed9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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