Ethanol → HCID 58946487, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]([F:28])[c:17]([B:20]3[O:21][CH2:22][C:23]([CH3:24])([CH3:25])[CH2:26][O:27]3)[cH:18][cH:19]2)=[CH:12][CH2:13]1.[CH3:127][CH2:128][OH:129].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:29][c:30]1[n:31][cH:32][c:33]([F:36])[cH:34][n:35]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[Pd:50].[c:108]1([P:109]([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)[cH:122][cH:123][cH:124][cH:125][cH:126]1.[c:51]1([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)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([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)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([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)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]([F:28])[c:17](-[c:30]3[n:31][cH:32][c:33]([F:36])[cH:34][n:35]3)[cH:18][cH:19]2)=[CH:12][CH2:13]1Participants
9
Sources & evidence
- ORD record
- ord-900c8b7e01ec4b78b468e1fd9ee63355
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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