Toluene → 3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-{4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzyl}urea

HRID 299069

Reaction equation

HRID 299069 reaction equation
[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:1][B:2]1[N:3]2[CH2:4][CH2:5][CH2:6][CH:7]2[C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:21]1.[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[F:29][C:30]([c:31]1[cH:32][c:33]([NH:41][C:42]([N:43]([CH2:44][c:45]2[cH:46][cH:47][c:48]([C:51]([CH2:52][c:53]3[n:54][n:55][nH:56][n:57]3)=[O:58])[cH:49][cH:50]2)[CH:59]2[CH2:60][CH2:61][CH:62]([C:65]([CH3:66])([CH3:67])[CH3:68])[CH2:63][CH2:64]2)=[O:69])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:70])[F:71]>>[F:29][C:30]([c:31]1[cH:32][c:33]([NH:41][C:42]([N:43]([CH2:44][c:45]2[cH:46][cH:47][c:48]([CH:51]([CH2:52][c:53]3[n:54][n:55][nH:56][n:57]3)[OH:58])[cH:49][cH:50]2)[CH:59]2[CH2:60][CH2:61][CH:62]([C:65]([CH3:66])([CH3:67])[CH3:68])[CH2:63][CH2:64]2)=[O:69])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:70])[F:71]

Participants

5

Reactant 4

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 5510901-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaboroleHCID 187688993-(3,5-bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-[4-(2-2H-tetrazol-5-yl-acetyl)-benzyl]urea

Product 1

HCID 187689003-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-{4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzyl}urea

Sources & evidence

ORD record
ord-23919d65dd644b8f81efb0ef29bedf33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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