Ethanol → HCID 56668058, compound
Reaction equation
[C:26](#[N:27])[c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:1][N:2]1[CH2:3][CH:4]2[C:5]3([CH2:6]1)[CH2:7][CH2:8][c:9]1[c:10]([cH:14][cH:15][c:16]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[cH:17]1)[CH:11]3[CH2:12][CH2:13]2.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][CH2:51][OH:52].[Na+:41].[Na+:42].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[CH3:1][N:2]1[CH2:3][CH:4]2[C:5]3([CH2:6]1)[CH2:7][CH2:8][c:9]1[c:10]([cH:14][cH:15][c:16](-[c:31]4[cH:30][cH:29][c:28]([C:26]#[N:27])[cH:33][cH:32]4)[cH:17]1)[CH:11]3[CH2:12][CH2:13]2Participants
8
Sources & evidence
- ORD record
- ord-8b936966dca94c9abd7678ba80580d5f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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