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Ammonium → 4-(aminomethyl)-6-bromo-1-(4-methoxybenzyl)-3-methyl-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one

HRID 122931
Notes
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Reaction equation

HRID 122931 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[N:8]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[C:7](=[O:21])[N:6]([CH3:22])[C:5]2([C:23]([F:24])([F:25])[F:26])[CH2:27][N+:28]([O-:29])=[O:30].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:31][OH:32].[Cl-:34].[Fe:41].[NH4+:35].[OH2:33]>>[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[N:8]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[C:7](=[O:21])[N:6]([CH3:22])[C:5]2([C:23]([F:24])([F:25])[F:26])[CH2:27][NH2:28]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 23925IronHCID 684891426-bromo-1-(4-methoxybenzyl)-3-methyl-4-(nitromethyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one

Product 1

HCID 684894644-(aminomethyl)-6-bromo-1-(4-methoxybenzyl)-3-methyl-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one

Sources & evidence

ORD record
ord-b323ac7250c14f41bf3c519deb25f7b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes