Tetrahydrofuran → 2-Benzyl-6-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-N-(2-(dimethylamino)ethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

HRID 148451Notes

Reaction equation

HRID 148451 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:34])[c:10]2[cH:11][cH:12][c:13](-[c:21]3[c:22]([CH3:33])[cH:23][cH:24][c:25]([C:27]([NH:28][CH:29]4[CH2:30][CH2:31]4)=[O:32])[cH:26]3)[cH:14][c:15]2[c:16]([C:18](=[O:19])[OH:20])[cH:17]1.[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH3:35][N:36]([CH2:37][CH2:38][NH2:39])[CH3:40].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:34])[c:10]2[cH:11][cH:12][c:13](-[c:21]3[c:22]([CH3:33])[cH:23][cH:24][c:25]([C:27]([NH:28][CH:29]4[CH2:30][CH2:31]4)=[O:32])[cH:26]3)[cH:14][c:15]2[c:16]([C:18](=[O:20])[NH:39][CH2:38][CH2:37][N:36]([CH3:35])[CH3:40])[cH:17]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 66053N,N-DimethylethylenediamineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 575517272-Benzyl-6-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

Product 1

HCID 250205142-Benzyl-6-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-N-(2-(dimethylamino)ethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

Sources & evidence

ORD record
ord-a1698028cb9b40e28724e96c02f9271e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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