Ethanol → HCID 22288648, compound
Reaction equation
[Br:8][c:9]1[cH:10][cH:11][cH:12][c:13]([O:15][CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]2)[n:14]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:50][CH2:51][OH:52].[F:33][c:34]1[c:35](-[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[B:47]([OH:48])[OH:49])[cH:36][cH:37][c:38]([F:40])[cH:39]1.[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[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>>[c:9]1(-[c:35]2[c:34]([F:33])[cH:39][c:38]([F:40])[cH:37][cH:36]2)[cH:10][cH:11][cH:12][c:13]([O:15][CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]2)[n:14]1Participants
8
Sources & evidence
- ORD record
- ord-5eb70ef94dd342f69fcdf71afcb4d0bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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