Toluene → HCID 72279359, compound

HRID 1122187Notes

Reaction equation

HRID 1122187 reaction equation
[Br:71][c:72]1[cH:73][n:74][nH:75][cH:76]1.[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH:1]1([CH:6]=[CH:7][CH:8]=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5]1.[F:10][C:11]([F:12])([F:13])[c:14]1[cH:15][c:16]([C:17]([c:18]2[cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]2)([O:32][Si:33]([C:34]([CH3:35])([CH3:36])[CH3:37])([CH3:38])[CH3:39])[CH:40]2[CH2:41][CH2:42][CH2:43][NH:44]2)[cH:45][c:46]([C:47]([F:48])([F:49])[F:50])[cH:51]1.[OH:52][C:53]([c:54]1[cH:55][cH:56][c:57]([N+:58](=[O:59])[O-:60])[cH:61][cH:62]1)=[O:63]>>[CH:1]1([CH:6]([CH2:7][CH:8]=[O:9])[n:75]2[n:74][cH:73][c:72]([Br:71])[cH:76]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 61084-Nitrobenzoic AcidHCID 163754-BromopyrazoleHCID 56619574CID 56619574HCID 59420143HCID 59420143, compound

Product 1

HCID 72279359HCID 72279359, compound

Sources & evidence

ORD record
ord-1cfbc68e346141fa9d4c71a82273309d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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