Ethanol → HCID 68948397, compound
Reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[CH2:122]([CH2:123][O:124][CH3:125])[O:126][CH3:127].[CH3:118][CH2:119][OH:120].[CH3:12][B:13]([OH:14])[OH:15].[I:1][c:2]1[cH:3][s:4][c:5]2[c:10]1[CH2:9][CH2:8][O:7][C:6]2=[O:11].[Na+:20].[Na+:21].[Na+:23].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[OH-:22].[OH2:121].[OH2:24].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1.[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([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)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([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)[cH:116][cH:117]1>>[c:2]1([CH3:12])[cH:3][s:4][c:5]2[c:10]1[CH2:9][CH2:8][O:7][C:6]2=[O:11]Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-d30a8418e1814c4ca8e12d69ab25aeb6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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