Water → Ethyl 7-cyano-3-mesityl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-carboxylate
Reaction equation
[C-:110]#[N:111].[C-:113]#[N:114].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[Cl:1][c:2]1[c:3]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:4]([CH3:21])[n:5][c:6]2[n:7]1[n:8][c:9]([CH3:20])[c:10]2-[c:11]1[c:12]([CH3:19])[cH:13][c:14]([CH3:18])[cH:15][c:16]1[CH3:17].[OH2:27].[Zn+2:112].[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[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)[cH:108][cH:109]1>>[c:2]1([C:28]#[N:29])[c:3]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:4]([CH3:21])[n:5][c:6]2[n:7]1[n:8][c:9]([CH3:20])[c:10]2-[c:11]1[c:12]([CH3:19])[cH:13][c:14]([CH3:18])[cH:15][c:16]1[CH3:17]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-103aa9067ec940ba8e3be79f944e4232
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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