Ethanol → 1-[2-(2-Chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
Reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:138]([O:139][CH2:140][CH3:141])[CH3:142].[CH2:46]([Cl:47])[Cl:48].[CH3:136][OH:137].[CH3:44][OH:45].[CH3:49][CH2:50][OH:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10]3[c:11]([n:12][cH:13][cH:14][c:15]3[N:16]3[CH2:17][C:18]([C:20](=[O:21])[NH2:22])([NH:23][CH2:24][CH3:25])[CH2:19]3)[c:26]2[I:27])[cH:4][cH:5][cH:6][cH:7]1.[Cl:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Na+:42].[Na+:43].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10]3[c:11]([n:12][cH:13][cH:14][c:15]3[N:16]3[CH2:17][C:18]([C:20](=[O:21])[NH2:22])([NH:23][CH2:24][CH3:25])[CH2:19]3)[c:26]2-[c:32]2[cH:31][cH:30][c:29]([Cl:28])[cH:34][cH:33]2)[cH:4][cH:5][cH:6][cH:7]1Participants
11
Reactant 10
HCID 702Ethanol
HCID 887Methanol2×
HCID 923Sodium ion2×
HCID 1140Toluene
HCID 3283Diethyl Ether
HCID 6344Dichloromethane
HCID 19660Carbonate Ion
HCID 742994-Chlorophenylboronic acid
HCID 588013161-[2-(2-Chlorophenyl)-3-iodopyrazolo[1,5-a]pyrimidin-7-yl]-3-ethylaminoazetidine-3-carboxylic Acid Amide
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-013362086b3941ba8b885b00e2ed441d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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