Acetate → 5,6,7,8-tetrahydro-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2-(trifluoromethyl)-4-quinazolinamine

HRID 2131456Notes

Reaction equation

HRID 2131456 reaction equation
[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[CH3:37][C:38](=[O:39])[O-:40].[CH3:41][OH:42].[Cl:1][c:2]1[n:3][c:4]([C:12]([F:13])([F:14])[F:15])[n:5][c:6]2[c:11]1[CH2:10][CH2:9][CH2:8][CH2:7]2.[ClH:16].[Na+:36].[nH:17]1[n:18][n:19][n:20][c:21]1-[c:22]1[c:23](-[c:28]2[cH:29][cH:30][c:31]([CH2:34][NH2:35])[cH:32][cH:33]2)[cH:24][cH:25][cH:26][cH:27]1>>[c:2]1([NH:35][CH2:34][c:31]2[cH:30][cH:29][c:28](-[c:23]3[c:22](-[c:21]4[n:17][n:18][n:19][nH:20]4)[cH:27][cH:26][cH:25][cH:24]3)[cH:33][cH:32]2)[n:3][c:4]([C:12]([F:13])([F:14])[F:15])[n:5][c:6]2[c:11]1[CH2:10][CH2:9][CH2:8][CH2:7]2

Participants

8

Reactant 7

HCID 175AcetateHCID 2631-ButanolHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 19383098HCID 19383098, compoundHCID 178509559N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amine

Product 1

HCID 1785062715,6,7,8-tetrahydro-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2-(trifluoromethyl)-4-quinazolinamine

Sources & evidence

ORD record
ord-869c754f9ed845bca2f631d54f3fe9fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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