Hydrochloric Acid → N-(3-chloro-2-fluorophenyl)-6-{[1-(isoxazol-5-ylcarbonyl)piperidin-4-yl]oxy}-7-methoxyquinazolin-4-amine

HRID 683156Notes

Reaction equation

HRID 683156 reaction equation
[CH2:72]([Cl:73])[Cl:74].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:52][CH3:53])[c:42]([O:45][CH:46]4[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1.[ClH:25].[ClH:26].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1.[o:64]1[n:65][cH:66][cH:67][c:68]1[C:69](=[O:70])[OH:71]>>[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:52][CH3:53])[c:42]([O:45][CH:46]4[CH2:47][CH2:48][N:49]([C:69]([c:68]5[o:64][n:65][cH:66][cH:67]5)=[O:70])[CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 20605991,2-Oxazole-5-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 10408840N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(piperidin-4-yloxy)quinazolin-4-amine

Product 1

HCID 11443377N-(3-chloro-2-fluorophenyl)-6-{[1-(isoxazol-5-ylcarbonyl)piperidin-4-yl]oxy}-7-methoxyquinazolin-4-amine

Sources & evidence

ORD record
ord-cd3d6ad73a32423083eccb6d48d5fed0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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