Ethanol → HCID 58748417, compound
Reaction equation
[Br:18][c:19]1[cH:20][c:21]([N+:26](=[O:27])[O-:28])[c:22]([CH3:25])[cH:23][cH:24]1.[C:12](=[O:13])([O-:14])[O-:15].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:37][CH2:38][OH:39].[K+:16].[K+:17].[OH2:29].[Pd:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([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][cH:114][cH:115][cH:116]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:19]2[cH:20][c:21]([N+:26](=[O:27])[O-:28])[c:22]([CH3:25])[cH:23][cH:24]2)[cH:7][cH:8]1Participants
10
Sources & evidence
- ORD record
- ord-6f5825ef36b440459449249d6a5eb9a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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