Toluene → 4-Cyclopropylethynyl-6-(2-methoxy-ethoxymethoxy)-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one

HRID 2332927Notes

Reaction equation

HRID 2332927 reaction equation
[C:1]([CH3:3])([CH3:4])([O:5][C:6]([NH:7][c:8]1[c:9]([C:21]([OH:2])([C:22]#[C:23][CH:24]2[CH2:25][CH2:26]2)[C:27]([F:28])([F:29])[F:30])[cH:10][c:11]([O:14][CH2:15][O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:12][cH:13]1)=[O:32])[CH3:31].[CH2:33]([Li:34])[CH2:35][CH2:36][CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[O:5]1[C:6](=[O:32])[NH:7][c:8]2[c:9]([cH:10][c:11]([O:14][CH2:15][O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:12][cH:13]2)[C:21]1([C:22]#[C:23][CH:24]1[CH2:25][CH2:26]1)[C:27]([F:28])([F:29])[F:30]

Participants

4

Reactant 3

HCID 1140TolueneHCID 68800268[2-(3-cyclopropyl-1-hydroxy-1-trifluoromethyl-prop-2-ynyl)-4-(2-methoxy-ethoxymethoxy)-phenyl]-carbamic Acid Tert-Butyl EsterHCID 178418339Butyllithium

Product 1

HCID 688005564-Cyclopropylethynyl-6-(2-methoxy-ethoxymethoxy)-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one

Sources & evidence

ORD record
ord-aa1ed087816c45c8909314e3cc6a1eda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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