Ethanol → HCID 178427228, compound
Reaction equation
[Br:33][c:34]1[c:35]([CH3:43])[cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42]1.[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:135][CH2:136][OH:137].[CH3:1][c:2]1[c:3]([O:4][CH2:5][CH2:6][NH:7][CH:8]([CH:9]([OH:10])[c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[CH3:18])[c:19]([CH3:32])[cH:20][c:21]([B:23]2[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]2)[cH:22]1.[Cs+:45].[F-:44].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:134].[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>>[CH3:1][c:2]1[c:3]([O:4][CH2:5][CH2:6][NH:7][CH:8]([CH:9]([OH:10])[c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[CH3:18])[c:19]([CH3:32])[cH:20][c:21](-[c:34]2[c:35]([CH3:43])[cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42]2)[cH:22]1Participants
10
Sources & evidence
- ORD record
- ord-ced4afc3e81d4912b50cfaa0a87ee931
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…