Ethanol → HCID 57335032, compound
Reaction equation
[C:57](=[O:58])([O-:59])[O-:60].[CH3:112][CH2:113][OH:114].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6](-[c:18]3[cH:19][cH:20][c:21]([C:23]([CH3:24])=[O:25])[o:22]3)[cH:7][cH:8][c:9]2[c:10]([N:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[n:11]1.[Cs+:61].[Cs+:62].[F:26][c:27]1[c:28]([C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[cH:34][cH:35][c:36]([NH:38][C:39](=[O:40])[NH:41][c:42]2[cH:43][cH:44][c:45]([B:48]3[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]3)[cH:46][cH:47]2)[cH:37]1.[OH2:111].[Pd:70]([Cl:71])[Cl:72].[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1(-[c:45]2[cH:44][cH:43][c:42]([NH:41][C:39]([NH:38][c:36]3[cH:35][cH:34][c:28]([C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[c:27]([F:26])[cH:37]3)=[O:40])[cH:47][cH:46]2)[n:3][c:4]2[cH:5][c:6](-[c:18]3[cH:19][cH:20][c:21]([C:23]([CH3:24])=[O:25])[o:22]3)[cH:7][cH:8][c:9]2[c:10]([N:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[n:11]1Participants
10
Sources & evidence
- ORD record
- ord-5818f996d40f41bca9bbb58c1809fd2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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