Hydrochloric Acid → 2-{3-[(7-{2-[1-(2-tert-butoxyethyl)piperidin-4-yl]ethoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide

HRID 113370Notes

Reaction equation

HRID 113370 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][O:16][c:17]2[c:18]([O:37][CH3:38])[cH:19][c:20]3[c:21]([NH:27][c:28]4[n:29][nH:30][c:31]([CH2:33][C:34](=[O:35])[OH:36])[cH:32]4)[n:22][cH:23][n:24][c:25]3[cH:26]2)[CH2:12][CH2:13]1.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[Cl:72][CH2:73][Cl:74].[ClH:47].[NH2:39][c:40]1[cH:41][cH:42][cH:43][c:44]([F:45])[cH:46]1.[OH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][n+:65]1[O-:66]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][O:16][c:17]2[c:18]([O:37][CH3:38])[cH:19][c:20]3[c:21]([NH:27][c:28]4[n:29][nH:30][c:31]([CH2:33][C:34](=[O:36])[NH:39][c:40]5[cH:41][cH:42][cH:43][c:44]([F:45])[cH:46]5)[cH:32]4)[n:22][cH:23][n:24][c:25]3[cH:26]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 97423-FluoroanilineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 68990806{3-[(7-{2-[1-(2-tert-butoxyethyl)piperidin-4-yl]ethoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetic acidHCID 178526252HCID 178526252, compound

Product 1

HCID 689939892-{3-[(7-{2-[1-(2-tert-butoxyethyl)piperidin-4-yl]ethoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide

Sources & evidence

ORD record
ord-3f84a691de3241018ddd19b0191ae515
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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