Ethanol → HCID 44553610, compound
Reaction equation
[Br:1][c:2]1[c:3]2[n:4]([cH:5][c:6](-[c:8]3[cH:9][n:10][c:11]([NH:13][CH:14]([CH3:15])[CH3:16])[s:12]3)[cH:7]1)[cH:17][n:18][n:19]2.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH2:46][OH:47].[F:20][c:21]1[c:22]([B:27]([OH:28])[OH:29])[cH:23][cH:24][cH:25][cH:26]1.[K+:35].[K+:36].[K+:37].[P:30]([O-:31])([O-:32])([O-:33])=[O:34].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([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)([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[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)[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)[cH:123][cH:124]1>>[c:2]1(-[c:22]2[c:21]([F:20])[cH:26][cH:25][cH:24][cH:23]2)[c:3]2[n:4]([cH:5][c:6](-[c:8]3[cH:9][n:10][c:11]([NH:13][CH:14]([CH3:15])[CH3:16])[s:12]3)[cH:7]1)[cH:17][n:18][n:19]2Participants
8
Sources & evidence
- ORD record
- ord-6c6c5e120d18417ab4e7d92b64e6efad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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