Water → ethyl 1-phenyl-5-(phenylamino)-1H-pyrazole-3-carboxylate
Reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:141][CH2:142][O:143][C:144](=[O:145])[CH3:146].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[Cs+:29].[Cs+:30].[I:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[NH2:1][c:2]1[cH:3][c:4]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[n:5][n:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:123]=[C:124]([CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1)[CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[O:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[OH2:147].[Pd:85].[Pd:86].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[c:40]3[c:64]([cH:65][cH:66][cH:67]2)[C:61]([CH3:62])([CH3:63])[c:43]2[c:42]([c:47]([P:48]([c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[cH:46][cH:45][cH:44]2)[O:41]3)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[NH:1]([c:2]1[cH:3][c:4]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[n:5][n:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1Participants
12
Reactant 11
HCID 962Water
HCID 1140Toluene
HCID 8028Tetrahydrofuran
HCID 8857Ethyl Acetate
HCID 11575Iodobenzene
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 23630921Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-b1cee89a8b0f4f94b6646f957b88d452
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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