Sodium ion → 6-(2,6-Diethyl-phenyl)-4-ethyl-2-methyl-nicotinic acid ethyl ester
Reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:22])[n:7][c:8](-[c:12]2[c:13]([CH2:20][CH3:21])[cH:14][cH:15][cH:16][c:17]2[CH2:18][CH3:19])[cH:9][c:10]1[Cl:11])=[O:23].[CH2:24]([CH3:25])[B:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Na+:35].[Na+:36].[OH2:44].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[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)[cH:120][cH:121]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:22])[n:7][c:8](-[c:12]2[c:13]([CH2:20][CH3:21])[cH:14][cH:15][cH:16][c:17]2[CH2:18][CH3:19])[cH:9][c:10]1[CH2:24][CH3:25])=[O:23]Participants
8
Sources & evidence
- ORD record
- ord-ea3d8b3134a347619c3fb87f30b391c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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