Toluene → {4-[4-Cyclopropyl-2-(2-trifluoromethoxy-phenyl)-2H-pyrazol-3-ylmethoxy]-2-methyl-phenyl}-carbamic acid tert-butyl ester

HRID 2322931Notes

Reaction equation

HRID 2322931 reaction equation
[C:55]([CH3:56])([CH3:57])([CH3:58])[O:59][C:60]([NH:61][c:62]1[c:63]([CH3:69])[cH:64][c:65]([OH:68])[cH:66][cH:67]1)=[O:70].[CH2:1]([P:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH:34]1([c:37]2[c:38]([CH2:53][OH:54])[n:39](-[c:42]3[c:43]([O:48][C:49]([F:50])([F:51])[F:52])[cH:44][cH:45][cH:46][cH:47]3)[n:40][cH:41]2)[CH2:35][CH2:36]1.[N:26]([C:27]([OH:28])=[O:29])=[N:30][C:31]([OH:32])=[O:33].[NH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[NH:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1>>[CH:34]1([c:37]2[c:38]([CH2:53][O:54][c:65]3[cH:64][c:63]([CH3:69])[c:62]([NH:61][C:60]([O:59][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:70])[cH:67][cH:66]3)[n:39](-[c:42]3[c:43]([O:48][C:49]([F:50])([F:51])[F:52])[cH:44][cH:45][cH:46][cH:47]3)[n:40][cH:41]2)[CH2:35][CH2:36]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8082Piperidine2×HCID 13831TributylphosphineHCID 415805Diazenedicarboxylic acidHCID 15429162tert-Butyl (4-hydroxy-2-methylphenyl)carbamateHCID 57443267[4-cyclopropyl-2-(2-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-methanol

Product 1

HCID 57443358{4-[4-Cyclopropyl-2-(2-trifluoromethoxy-phenyl)-2H-pyrazol-3-ylmethoxy]-2-methyl-phenyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-a9397d30a5e440648b4a71da2374617b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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