Dimethylformamide → 2-(4-Fluoro-2-methyl-phenylamino)-1,6-dimethyl-7-{3-[(1-methyl-1-oxo-phosphinan-4-yl)carbonylamino]-propenyl}-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one

HRID 171011Notes

Reaction equation

HRID 171011 reaction equation
[CH3:30][P:31]1(=[O:40])[CH2:32][CH2:33][CH:34]([C:37](=[O:38])[OH:39])[CH2:35][CH2:36]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[NH2:1][CH2:2][CH:3]=[CH:4][c:5]1[nH:6][c:7](=[O:29])[c:8]2[c:9]3[c:10]([cH:11][cH:12][c:13]2[c:14]1[CH3:15])[n:16][c:17]([NH:20][c:21]1[c:22]([CH3:28])[cH:23][c:24]([F:27])[cH:25][cH:26]1)[n:18]3[CH3:19].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[NH:1]([CH2:2][CH:3]=[CH:4][c:5]1[nH:6][c:7](=[O:29])[c:8]2[c:9]3[c:10]([cH:11][cH:12][c:13]2[c:14]1[CH3:15])[n:16][c:17]([NH:20][c:21]1[c:22]([CH3:28])[cH:23][c:24]([F:27])[cH:25][cH:26]1)[n:18]3[CH3:19])[C:37]([CH:34]1[CH2:33][CH2:32][P:31]([CH3:30])(=[O:40])[CH2:36][CH2:35]1)=[O:38]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579733021-Methyl-1-oxo-1lambda5-phosphinane-4-carboxylic acidHCID 668324547-(3-Amino-propenyl)-2-(4-fluoro-2-methyl-phenylamino)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one

Product 1

HCID 668326372-(4-Fluoro-2-methyl-phenylamino)-1,6-dimethyl-7-{3-[(1-methyl-1-oxo-phosphinan-4-yl)carbonylamino]-propenyl}-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one

Sources & evidence

ORD record
ord-f87ca71f77134f3db7696753e2cf0122
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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