Ethanol → HCID 75092444, compound
Reaction equation
[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:55][CH2:56][OH:57].[CH:1]1([n:4]2[c:5](=[O:11])[cH:6][c:7]([I:10])[cH:8][cH:9]2)[CH2:2][CH2:3]1.[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[OH:12][C:13]([CH2:14][C:15]1([CH:39]([CH3:40])[CH3:41])[CH2:16][CH2:17][N:18]([CH:22]([CH3:23])[c:24]2[cH:25][cH:26][c:27]([B:30]3[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]3)[cH:28][cH:29]2)[C:19](=[O:21])[O:20]1)([CH3:42])[CH3:43].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[CH:1]1([n:4]2[c:5](=[O:11])[cH:6][c:7](-[c:27]3[cH:26][cH:25][c:24]([CH:22]([N:18]4[CH2:17][CH2:16][C:15]([CH2:14][C:13]([OH:12])([CH3:42])[CH3:43])([CH:39]([CH3:40])[CH3:41])[O:20][C:19]4=[O:21])[CH3:23])[cH:29][cH:28]3)[cH:8][cH:9]2)[CH2:2][CH2:3]1Participants
8
Sources & evidence
- ORD record
- ord-f960e25dec2d425da4a6b2169e316f97
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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