Ethanol → HCID 68964078, compound
Reaction equation
[Br:38][c:39]1[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[NH2:48])[cH:43][cH:44]1.[C:49](=[O:50])([O-:51])[OH:52].[CH3:132][CH2:133][O:134][C:135](=[O:136])[CH3:137].[CH3:138][CH2:139][OH:140].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[F:8][c:9]1[cH:10][cH:11][c:12]([NH:13][c:14]2[c:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][c:25]([B:27]3[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]3)[cH:26]2)[cH:36][cH:37]1.[Na+:53].[OH2:131].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[F:8][c:9]1[cH:10][cH:11][c:12]([NH:13][c:14]2[c:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][c:25](-[c:39]3[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[NH2:48])[cH:43][cH:44]3)[cH:26]2)[cH:36][cH:37]1Participants
10
Sources & evidence
- ORD record
- ord-66e9fd53490a48259c0610898622c9b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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