Ethanol → HCID 69586734, compound
Reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:119][CH2:120][O:121][C:122]([CH3:123])=[O:124].[CH3:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([S:21][CH3:22])[c:8]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][n:15][c:16]([NH2:20])[c:17]([Br:19])[cH:18]2)[cH:9]1.[CH3:23][c:24]1[c:25]([B:30]([OH:31])[OH:32])[cH:26][cH:27][cH:28][cH:29]1.[CH3:39][CH2:40][OH:41].[Na+:37].[Na+:38].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([S:21][CH3:22])[c:8]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][n:15][c:16]([NH2:20])[c:17](-[c:25]3[c:24]([CH3:23])[cH:29][cH:28][cH:27][cH:26]3)[cH:18]2)[cH:9]1Participants
9
Sources & evidence
- ORD record
- ord-ec69074f16c34863a80ee9218280e5fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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