Hydrochloric Acid → N2-[1-(4-bromo-2-trifluoromethoxy-benzenesulfonyl)-piperidin-4-ylmethyl]-N4,N4-dimethyl-quinazoline-2,4-diamine

HRID 172887Notes

Reaction equation

HRID 172887 reaction equation
[Br:39][c:40]1[cH:41][c:42]([O:50][C:51]([F:52])([F:53])[F:54])[c:43]([S:46](=[O:47])(=[O:48])[Cl:49])[cH:44][cH:45]1.[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]([N:26]([CH3:27])[CH3:28])[n:25]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:61][CH2:62][Cl:63].[ClH:29]>>[N:8]1([S:46]([c:43]2[c:42]([O:50][C:51]([F:52])([F:53])[F:54])[cH:41][c:40]([Br:39])[cH:45][cH:44]2)(=[O:47])=[O:48])[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]([N:26]([CH3:27])[CH3:28])[n:25]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 27364214-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl ChlorideHCID 688493864-[(4-Dimethylamino-quinazolin-2-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 44401671N2-[1-(4-bromo-2-trifluoromethoxy-benzenesulfonyl)-piperidin-4-ylmethyl]-N4,N4-dimethyl-quinazoline-2,4-diamine

Sources & evidence

ORD record
ord-7f613b679b0d4e31877e258a6f4c7a62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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