Hydrochloric Acid → 2-amino-N-(3-(3-(3-cyanophenoxy)phenyl)-1-(dimethylamino)-1-oxopropan-2-yl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide

HRID 2335693Notes

Reaction equation

HRID 2335693 reaction equation
[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:8][N+:9]([CH3:10])=[C:11]([N:12]([CH3:13])[CH3:14])[O:15][n:16]1[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1.[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[ClH:48].[NH2:25][CH:26]([C:27](=[O:28])[N:29]([CH3:30])[CH3:31])[CH2:32][c:33]1[cH:34][c:35]([O:39][c:40]2[cH:41][c:42]([C:46]#[N:47])[cH:43][cH:44][cH:45]2)[cH:36][cH:37][cH:38]1.[NH2:49][c:50]1[n:51][c:52]2[cH:53][c:54]([C:67](=[O:68])[OH:69])[cH:55][cH:56][c:57]2[c:58]([N:60]2[CH2:61][CH2:62][N:63]([CH3:66])[CH2:64][CH2:65]2)[n:59]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7]>>[NH:25]([CH:26]([C:27](=[O:28])[N:29]([CH3:30])[CH3:31])[CH2:32][c:33]1[cH:34][c:35]([O:39][c:40]2[cH:41][c:42]([C:46]#[N:47])[cH:43][cH:44][cH:45]2)[cH:36][cH:37][cH:38]1)[C:67]([c:54]1[cH:53][c:52]2[n:51][c:50]([NH2:49])[n:59][c:58]([N:60]3[CH2:61][CH2:62][N:63]([CH3:66])[CH2:64][CH2:65]3)[c:57]2[cH:56][cH:55]1)=[O:68]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594966492-Amino-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxylic acidHCID 594966592-amino-3-[3-(3-cyanophenoxy)phenyl]-N,N-dimethylpropanamide

Product 1

HCID 497790352-amino-N-(3-(3-(3-cyanophenoxy)phenyl)-1-(dimethylamino)-1-oxopropan-2-yl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide

Sources & evidence

ORD record
ord-1391785140c0400cb6e6273a815adedd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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