Ethanol → HCID 57335031, compound
Reaction equation
[C:56](=[O:57])([O-:58])[O-:59].[CH3:111][CH2:112][OH:113].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Cl:1][c:2]1[n:3][c:4]([N:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9](-[c:12]1[cH:13][n:14][n:15]([CH3:17])[cH:16]1)[cH:10][n:11]2.[Cs+:60].[Cs+:61].[F:24][c:25]1[c:26]([NH:41][C:42]([NH:43][c:44]2[cH:45][cH:46][c:47]([C:48](=[O:49])[N:50]([CH3:51])[CH3:52])[cH:53][cH:54]2)=[O:55])[cH:27][cH:28][c:29]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[c:30]1[F:31].[OH2:110].[Pd:69]([Cl:70])[Cl:71].[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([NH:41][C:42]([NH:43][c:44]3[cH:45][cH:46][c:47]([C:48](=[O:49])[N:50]([CH3:51])[CH3:52])[cH:53][cH:54]3)=[O:55])[c:25]([F:24])[c:30]2[F:31])[n:3][c:4]([N:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9](-[c:12]1[cH:13][n:14][n:15]([CH3:17])[cH:16]1)[cH:10][n:11]2Participants
10
Sources & evidence
- ORD record
- ord-41d84f98e9634b63b960f593ebbd8ded
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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