Sodium ion → Methyl 4-methyl-3-(1-(1,1,1-trifluoroprop-2-en-2-yl)phthalazin-6-yl)benzoate

HRID 2329734Notes

Reaction equation

HRID 2329734 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:23][C:24]1([CH3:25])[CH2:26][CH:27]([CH3:28])[O:29][B:30]([C:31]([C:32]([F:33])([F:34])[F:35])=[CH2:36])[O:37]1.[Cl:1][c:2]1[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20][c:21]3[CH3:22])[cH:9][cH:10][c:11]12.[Na+:43].[Na+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:38].[OH2:51].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([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)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1([C:31]([C:32]([F:33])([F:34])[F:35])=[CH2:36])[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20][c:21]3[CH3:22])[cH:9][cH:10][c:11]12

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962Water2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 164142704,4,6-Trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinaneHCID 77230175Methyl 3-(1-chlorophthalazin-6-yl)-4-methylbenzoateHCID 178420554HCID 178420554, compound

Product 1

HCID 66675460Methyl 4-methyl-3-(1-(1,1,1-trifluoroprop-2-en-2-yl)phthalazin-6-yl)benzoate

Sources & evidence

ORD record
ord-3a540c5c45594022912a585c3fa2c927
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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