Hydrochloric Acid → HCID 178501566, compound

HRID 124926Notes

Reaction equation

HRID 124926 reaction equation
[Br:56][CH2:57][C:58](=[O:59])[O:60][CH3:61].[ClH:62].[H-:35].[Na+:34].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[O:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1.[OH2:68].[c:36]1([C:37]([Cl:38])([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[c:7](-[c:12]2[cH:13][cH:14][c:15]([CH2:18][NH:19][c:20]3[n:21][c:22]([C:30]([F:31])([F:32])[F:33])[n:23][c:24]4[c:29]3[CH2:28][CH2:27][CH2:26][CH2:25]4)[cH:16][cH:17]2)[cH:8][cH:9][cH:10][cH:11]1>>[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[c:7](-[c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]([c:20]3[n:21][c:22]([C:30]([F:31])([F:32])[F:33])[n:23][c:24]4[c:29]3[CH2:28][CH2:27][CH2:26][CH2:25]4)[CH2:57][C:58](=[O:59])[O:60][CH3:61])[cH:16][cH:17]2)[cH:8][cH:9][cH:10][cH:11]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6456Trityl chlorideHCID 312751,4-DioxaneHCID 60984Methyl bromoacetateHCID 166653HydrideHCID 1785062715,6,7,8-tetrahydro-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2-(trifluoromethyl)-4-quinazolinamine

Product 1

HCID 178501566HCID 178501566, compound

Sources & evidence

ORD record
ord-90cec05945f04585baa858f60868afd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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