Sodium ion → 4-Cyano-3-(2'-cyano-biphenyl-4-yl)-5-ethyl-thiophene-2-carboxylic acid ethyl ester
Reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]([CH2:28][CH3:29])[c:9]([C:26]#[N:27])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([B:17]2[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]2)[cH:15][cH:16]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[I:30][c:31]1[c:32]([C:33]#[N:34])[cH:35][cH:36][cH:37][cH:38]1.[Na+:43].[Na+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[Pd:57].[c:115]1([P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]([CH2:28][CH3:29])[c:9]([C:26]#[N:27])[c:10]1-[c:11]1[cH:12][cH:13][c:14](-[c:31]2[c:32]([C:33]#[N:34])[cH:35][cH:36][cH:37][cH:38]2)[cH:15][cH:16]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c6e0d216ef614055860c8726dff95fc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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