Ethanol → HCID 59682056, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([o:8]1)[c:9]([Br:13])[cH:10][cH:11][cH:12]2.[C:36](=[O:37])([O-:38])[O-:39].[CH2:14]([CH2:15][CH3:16])[O:17][c:18]1[c:19]([B:30]([OH:31])[OH:32])[cH:20][c:21]([CH2:28][CH3:29])[cH:22][c:23]1[C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:33][CH2:34][OH:35].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Na+:40].[Na+:41].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[P:93]([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)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([o:8]1)[c:9](-[c:19]1[c:18]([O:17][CH2:14][CH2:15][CH3:16])[c:23]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:22][c:21]([CH2:28][CH3:29])[cH:20]1)[cH:10][cH:11][cH:12]2Participants
8
Sources & evidence
- ORD record
- ord-2a3133ac90704f25b76fbc88f16b7fae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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