4-Bromotoluene → HCID 22757500, compound

HRID 2153624Notes

Reaction equation

HRID 2153624 reaction equation
[Br:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[C:70]([c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)(=[O:77])[n:78]1[n:79][cH:80][c:81]2[c:82]1[n:83][cH:84][c:85]1[c:86](=[O:101])[n:87](-[c:95]3[cH:96][cH:97][cH:98][cH:99][cH:100]3)[c:88]3[n:89]([c:90]21)[n:91][c:92]([CH3:94])[cH:93]3.[CH2:16]([N:17]1[N:18]2[c:19]3[c:20]4[cH:21][n:22][nH:23][c:24]4[n:25][cH:26][c:27]3[C:28](=[O:29])[N:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:37]2=[CH:38][CH:39]1[CH3:40])[c:41]1[o:42][cH:43][cH:44][cH:45]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([Br:6])[cH:7][cH:8]1.[CH3:46][c:47]1[cH:48][c:49]2[n:50](-[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:57](=[O:58])[c:59]3[cH:60][n:61][c:62]4[nH:63][n:64][cH:65][c:66]4[c:67]3[n:68]2[n:69]1>>[CH3:1][c:98]1[cH:97][cH:96][c:95](-[n:87]2[c:86](=[O:101])[c:85]3[cH:84][n:83][c:82]4[n:78]([C:70]([c:71]5[cH:72][cH:73][cH:74][cH:75][cH:76]5)=[O:77])[n:79][cH:80][c:81]4[c:90]3[n:89]3[c:88]2[cH:93][c:92]([CH3:94])[n:91]3)[cH:100][cH:99]1

Participants

6

Reactant 5

HCID 78054-BromotolueneHCID 7961BromobenzeneHCID 227574532-Methyl-4-phenyl-4H-pyrazolo[1,5-a]pyrazolo[4',3':5,6]pyrido[3,4-e]pyrimidin-5(8H)-oneHCID 227574668-Benzoyl-2-methyl-4-phenyl-4H-pyrazolo[1,5-a]pyrazolo-[4',3':5,6]pyrido[3,4-e]pyrimidin-5(8H)-oneHCID 227574691-Furfuryl-2-methyl-4-phenyl-4H-pyrazolo[1,5-a]pyrazolo[4',3':5,6]pyrido[3,4-e]pyrimidin-5(8H)-one

Product 1

HCID 22757500HCID 22757500, compound

Sources & evidence

ORD record
ord-365e869f5a3c4e51b9b1621d63baa54e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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