Potassium Cation → Benzyl 4-((4-(5-bromo-4-(2-ethoxy-2-oxoethyl)thiophene-2-carbonyl)-2-nitrophenyl)ethynyl)benzoate
Reaction equation
[Br:1][c:2]1[s:3][c:4]([C:13]([c:14]2[cH:15][c:16]([N+:21](=[O:22])[O-:23])[c:17]([I:20])[cH:18][cH:19]2)=[O:24])[cH:5][c:6]1[CH2:7][C:8](=[O:9])[O:10][CH2:11][CH3:12].[C:25](#[CH:26])[c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[K+:43].[K+:44].[O-:45][C:46]([O-:47])=[O:48].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:102].[Pd:61]([Cl:62])[Cl:63].[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[Br:1][c:2]1[s:3][c:4]([C:13]([c:14]2[cH:15][c:16]([N+:21](=[O:22])[O-:23])[c:17]([C:26]#[C:25][c:27]3[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:41][cH:42]3)[cH:18][cH:19]2)=[O:24])[cH:5][c:6]1[CH2:7][C:8](=[O:9])[O:10][CH2:11][CH3:12]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-f271400e93914a9db9a0569504b7f98d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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