Ethanol → HCID 68951888, compound
Reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:46][CH2:47][OH:48].[Cs+:37].[Cs+:38].[I:1][c:2]1[n:3][c:4]([NH2:20])[c:5]2[n:6][cH:7][n:8]([CH:9]3[CH:10]([OH:11])[CH:12]([OH:13])[CH:14]([CH2:15][OH:16])[O:17]3)[c:18]2[n:19]1.[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.[o:21]1[c:22]([B:30]([OH:31])[OH:32])[cH:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>>[c:2]1(-[c:22]2[o:21][c:25]3[c:24]([cH:23]2)[cH:29][cH:28][cH:27][cH:26]3)[n:3][c:4]([NH2:20])[c:5]2[n:6][cH:7][n:8]([CH:9]3[CH:10]([OH:11])[CH:12]([OH:13])[CH:14]([CH2:15][OH:16])[O:17]3)[c:18]2[n:19]1Participants
8
Sources & evidence
- ORD record
- ord-4141fc5c9cd5476b8952b44efb2f5227
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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