Dimethylformamide → 2-amino-N-[1-cyano-2-(4-propan-2-yloxyphenyl)ethyl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide

HRID 144192Notes

Reaction equation

HRID 144192 reaction equation
[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[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:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[NH2:25][c:26]1[n:27][c:28]2[cH:29][c:30]([C:43](=[O:44])[OH:45])[cH:31][cH:32][c:33]2[c:34]([N:36]2[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]2)[n:35]1.[NH2:60][CH:61]([C:62]#[N:63])[CH2:64][c:65]1[cH:66][cH:67][c:68]([O:71][CH:72]([CH3:73])[CH3:74])[cH:69][cH:70]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7]>>[NH2:25][c:26]1[n:27][c:28]2[cH:29][c:30]([C:43](=[O:45])[NH:60][CH:61]([C:62]#[N:63])[CH2:64][c:65]3[cH:66][cH:67][c:68]([O:71][CH:72]([CH3:73])[CH3:74])[cH:69][cH:70]3)[cH:31][cH:32][c:33]2[c:34]([N:36]2[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]2)[n:35]1

Participants

7

Reactant 6

HCID 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 723078702-Amino-3-(4-propan-2-yloxyphenyl)propanenitrile

Product 1

HCID 723078912-amino-N-[1-cyano-2-(4-propan-2-yloxyphenyl)ethyl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide

Sources & evidence

ORD record
ord-7060839d7ebd45a0b9788c9de5ec041b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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