Ethanol → US10251893, Cpd 190
Reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][c:19]3[cH:20][n:21][c:22]([Cl:26])[c:23]([F:25])[cH:24]3)=[O:27])[n:14][cH:15]2)[CH2:8][CH2:9]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:134][CH2:135][OH:136].[CH3:28][c:29]1[n:30][cH:31][cH:32][c:33]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:34]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Na+:48].[Na+:49].[OH2:137].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[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)[cH:132][cH:133]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][c:19]3[cH:20][n:21][c:22](-[c:33]4[cH:32][cH:31][n:30][c:29]([CH3:28])[cH:34]4)[c:23]([F:25])[cH:24]3)=[O:27])[n:14][cH:15]2)[CH2:8][CH2:9]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-7ad8cb1d2b6f4073a38e83d7afcc6d71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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