tert-Butanol → Trans-5-cyclopropyl-3-(2,6-dichloro-phenyl)-4-{4-[4-(4-methoxy-benzyloxy)-phenyl]-cyclohexyloxymethyl}isoxazole

HRID 179274Notes

Reaction equation

HRID 179274 reaction equation
[Br:43][CH2:44][c:45]1[c:46](-[c:53]2[c:54]([Cl:60])[cH:55][cH:56][cH:57][c:58]2[Cl:59])[n:47][o:48][c:49]1[CH:50]1[CH2:51][CH2:52]1.[C:66]([OH:67])([CH3:68])([CH3:69])[CH3:70].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH:15]3[CH2:16][CH2:17][CH:18]([OH:21])[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:22][cH:23]1.[K:42].[O:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29][O:30][CH2:31][CH2:32][O:33][CH2:34][CH2:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH:15]3[CH2:16][CH2:17][CH:18]([O:21][CH2:44][c:45]4[c:46](-[c:53]5[c:54]([Cl:60])[cH:55][cH:56][cH:57][c:58]5[Cl:59])[n:47][o:48][c:49]4[CH:50]4[CH2:51][CH2:52]4)[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:22][cH:23]1

Participants

7

Reactant 6

HCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 2855718-Crown-6HCID 5462222PotassiumHCID 593693284-(Bromomethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazoleHCID 669059354-[4-(4-Methoxy-benzyloxy)-phenyl]-cyclohexanol

Product 1

HCID 66905992Trans-5-cyclopropyl-3-(2,6-dichloro-phenyl)-4-{4-[4-(4-methoxy-benzyloxy)-phenyl]-cyclohexyloxymethyl}isoxazole

Sources & evidence

ORD record
ord-f119f73fce6a405f9233646d23f692e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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