Ethanol → HCID 67046925, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH:12]2[CH:13]([C:15](=[O:16])[O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:14]2)[cH:4][cH:5][c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][OH:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1.[n:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1>>[c:2]1(-[c:28]2[cH:27][cH:26][n:25][cH:30][cH:29]2)[c:3]([CH:12]2[CH:13]([C:15](=[O:16])[O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:14]2)[cH:4][cH:5][c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-6c1fcd686b014caeb9fbb4d93772d549
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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