Ethanol → HCID 25153211, compound
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:37]([CH3:38])[CH3:39])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][CH:19]4[CH2:20][CH:21]=[C:22]([B:25]5[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]5)[CH2:23][CH2:24]4)[cH:34][cH:35]3)[o:10]2)[cH:36]1.[CH3:58][CH2:59][OH:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[F:40][C:41]([c:42]1[cH:43][cH:44][c:45]([CH2:46][Br:47])[cH:48][cH:49]1)([F:50])[F:51].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[OH2:68].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:37]([CH3:38])[CH3:39])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][CH:19]4[CH2:20][CH:21]=[C:22]([CH2:46][c:45]5[cH:44][cH:43][c:42]([C:41]([F:40])([F:50])[F:51])[cH:49][cH:48]5)[CH2:23][CH2:24]4)[cH:34][cH:35]3)[o:10]2)[cH:36]1Participants
9
Sources & evidence
- ORD record
- ord-97888c88f8904470b1707573f99d3900
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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