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Acetate → 2-(4-Fluoro-2-methyl-phenylamino)-1,6-dimethyl-7-[3-(4-methyl-4-oxo-4lambda5[1,4]azaphosphinan-1-yl)-propenyl]-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one

HRID 112436
Notes
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Reaction equation

HRID 112436 reaction equation
[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:1][P:2]1(=[O:8])[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:60][C:61](=[O:62])[O-:63].[F:28][c:29]1[cH:30][c:31]([CH3:59])[c:32]([NH:35][c:36]2[n:37]([CH3:58])[c:38]3[c:39]([cH:40][cH:41][c:42]4[c:43]([CH3:56])[c:44]([CH:49]([CH:50]=[CH2:51])[O:52][C:53](=[O:54])[CH3:55])[nH:45][c:46](=[O:48])[c:47]34)[n:57]2)[cH:33][cH:34]1.[c:9]1([P:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH3:1][P:2]1(=[O:8])[CH2:3][CH2:4][N:5]([CH2:51][CH:50]=[CH:49][c:44]2[c:43]([CH3:56])[c:42]3[cH:41][cH:40][c:39]4[c:38]([n:37]([CH3:58])[c:36]([NH:35][c:32]5[c:31]([CH3:59])[cH:30][c:29]([F:28])[cH:34][cH:33]5)[n:57]4)[c:47]3[c:46](=[O:48])[nH:45]2)[CH2:6][CH2:7]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 175AcetateHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 552988994-Methyl-1,4lambda5-azaphosphinan-4-oneHCID 66832334acetic acid 1-[2-(4-fluoro-2-methyl-phenylamino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinolin-7-yl]-allyl ester

Product 1

HCID 66832937
2-(4-Fluoro-2-methyl-phenylamino)-1,6-dimethyl-7-[3-(4-methyl-4-oxo-4lambda5[1,4]azaphosphinan-1-yl)-propenyl]-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one

Sources & evidence

ORD record
ord-f200802f6fae41dbbf6685074a324a68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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