Ethanol → HCID 58444573, compound
Reaction equation
[CH2:64]([OH:65])[CH3:66].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([F:22])[cH:9][c:10]([CH:13]2[O:14][CH2:15][CH:16]([CH2:19][CH2:20][CH3:21])[CH2:17][CH2:18]2)[cH:11][cH:12]1)(=[O:23])=[O:24].[F:25][c:26]1[cH:27][c:28]([O:29][C:30]([c:31]2[c:32]([F:47])[cH:33][c:34]([B:38]3[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]3)[cH:35][c:36]2[F:37])([F:48])[F:49])[cH:50][c:51]([F:57])[c:52]1[C:53]([F:54])([F:55])[F:56].[Na+:58].[Na+:59].[O-:60][C:61](=[O:62])[O-:63].[c:67]1([CH3:68])[cH:69][cH:70][cH:71][cH:72][cH:73]1.[cH:74]1[cH:75][cH:76][c:77]([P:78]([Pd:79]([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)([c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[c:143]2[cH:144][cH:145][cH:146][cH:147][cH:148]2)[cH:149][cH:150]1>>[c:7]1(-[c:34]2[cH:33][c:32]([F:47])[c:31]([C:30]([O:29][c:28]3[cH:27][c:26]([F:25])[c:52]([C:53]([F:54])([F:55])[F:56])[c:51]([F:57])[cH:50]3)([F:48])[F:49])[c:36]([F:37])[cH:35]2)[c:8]([F:22])[cH:9][c:10]([CH:13]2[O:14][CH2:15][CH:16]([CH2:19][CH2:20][CH3:21])[CH2:17][CH2:18]2)[cH:11][cH:12]1Participants
8
Sources & evidence
- ORD record
- ord-ae6fa846311747b38e95fe1651894baf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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