Ethanol → HCID 59759984, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([S:19]([NH:20][c:21]2[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][c:24]([Br:27])[cH:25][cH:26]2)(=[O:32])=[O:33])[c:10]([CH3:18])[c:11]2[cH:12][c:13]([F:17])[cH:14][cH:15][c:16]12.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:49][CH2:50][OH:51].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[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.[n:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([S:19]([NH:20][c:21]2[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][c:24](-[c:37]3[cH:36][cH:35][n:34][cH:39][cH:38]3)[cH:25][cH:26]2)(=[O:32])=[O:33])[c:10]([CH3:18])[c:11]2[cH:12][c:13]([F:17])[cH:14][cH:15][c:16]12Participants
8
Sources & evidence
- ORD record
- ord-4580ab003b0c4cdfbde72c1c7d3919c2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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