Hydrochloric Acid → 2,4-Di[(1,1-dimethylethyl)carbonylamino]-6-(3-trifluoromethylphenylmethoxyimino)-5,6,7,8-tetrahydroquinazoline

HRID 688259Notes

Reaction equation

HRID 688259 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[C:5](=[O:6])[NH:7][c:8]1[n:9][c:10]2[c:15]([c:16]([NH:18][C:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[n:17]1)[CH2:14][C:13](=[O:25])[CH2:12][CH2:11]2.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][CH2:48][OH:49].[ClH:26].[F:27][C:28]([c:29]1[cH:30][c:31]([CH2:35][O:36][NH2:37])[cH:32][cH:33][cH:34]1)([F:38])[F:39]>>[CH3:1][C:2]([CH3:3])([CH3:4])[C:5](=[O:6])[NH:7][c:8]1[n:9][c:10]2[c:15]([c:16]([NH:18][C:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[n:17]1)[CH2:14][C:13](=[N:37][O:36][CH2:35][c:31]1[cH:30][c:29]([C:28]([F:27])([F:38])[F:39])[cH:34][cH:33][cH:32]1)[CH2:12][CH2:11]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 8471TriethylamineHCID 203813O-(3-(Trifluoromethyl)benzyl)hydroxylamineHCID 197051902,4-Di[(1,1-dimethylethyl)carbonylamino]-5,6,7,8-tetrahydro-6-quinazolinone

Product 1

HCID 542317742,4-Di[(1,1-dimethylethyl)carbonylamino]-6-(3-trifluoromethylphenylmethoxyimino)-5,6,7,8-tetrahydroquinazoline

Sources & evidence

ORD record
ord-d053aca703d746a8a88fa2272c2db514
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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