Hydrochloric Acid → 2-[3-({5-{[1-(2-tert-butoxyethyl)piperidin-4-yl]oxy}-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl}amino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide

HRID 150930Notes

Reaction equation

HRID 150930 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]([O:14][c:15]2[c:16]3[c:17]([NH:36][c:37]4[n:38][nH:39][c:40]([CH2:42][C:43](=[O:44])[OH:45])[cH:41]4)[n:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:25][CH2:26][CH2:27][CH2:28][N:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:24]2)[CH2:12][CH2:13]1.[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[ClH:54].[NH2:46][c:47]1[cH:48][cH:49][cH:50][c:51]([F:52])[cH:53]1.[OH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][n+:72]1[O-:73]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]3[c:17]([NH:36][c:37]4[n:38][nH:39][c:40]([CH2:42][C:43](=[O:45])[NH:46][c:47]5[cH:48][cH:49][cH:50][c:51]([F:52])[cH:53]5)[cH:41]4)[n:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:25][CH2:26][CH2:27][CH2:28][N:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:24]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 97423-FluoroanilineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 68988732[3-({5-{[1-(2-tert-butoxyethyl)piperidin-4-yl]oxy}-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl}amino)-1H-pyrazol-5-yl]acetic acidHCID 178526252HCID 178526252, compound

Product 1

HCID 689932112-[3-({5-{[1-(2-tert-butoxyethyl)piperidin-4-yl]oxy}-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl}amino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide

Sources & evidence

ORD record
ord-d57535fcac8d419db8e7b6bc70f77b43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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