Ethanol → HCID 25216554, compound
Reaction equation
[CH3:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[CH3:131][CH2:132][OH:133].[CH3:3][N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][c:12](-[c:16]3[cH:17][c:18]([O:22][S:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])=[O:29])[cH:19][cH:20][cH:21]3)[n:13][cH:14][cH:15]2)[CH2:8][CH2:9]1.[K+:40].[K+:41].[N:1]#[N:2].[O-:42][C:43]([O-:44])=[O:45].[OH2:123].[OH:30][B:31]([OH:32])[c:33]1[cH:34][cH:35][c:36]([F:37])[cH:38][cH:39]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[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)[cH:121][cH:122]1>>[CH3:3][N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][c:12](-[c:16]3[cH:17][c:18](-[c:33]4[cH:34][cH:35][c:36]([F:37])[cH:38][cH:39]4)[cH:19][cH:20][cH:21]3)[n:13][cH:14][cH:15]2)[CH2:8][CH2:9]1Participants
10
Sources & evidence
- ORD record
- ord-056dc9f5e5304290abcb7e35099dc0f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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