Ethanol → HCID 17962887, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:33])([CH3:34])[CH2:6][C:7]([CH3:26])([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:8]2[cH:9][c:10]([NH:14][C:15]([c:16]3[c:17]([Br:24])[cH:18][cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:25])[cH:11][cH:12][c:13]21.[CH2:65]([OH:66])[CH3:67].[CH2:68]([CH2:69][O:70][CH3:71])[O:72][CH3:73].[Cs+:45].[F-:44].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:74].[Pd:75].[c:35]1([B:41]([OH:42])[OH:43])[cH:36][cH:37][cH:38][cH:39][cH:40]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:33])([CH3:34])[CH2:6][C:7]([CH3:26])([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:8]2[cH:9][c:10]([NH:14][C:15]([c:16]3[c:17](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:18][cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:25])[cH:11][cH:12][c:13]21Participants
10
Sources & evidence
- ORD record
- ord-3e8128a1b5a441519997fed0a8c17902
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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