Acetate → 8-[[2-[(1,3-Dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

HRID 289838Notes

Reaction equation

HRID 289838 reaction equation
[C:75](=[O:76])([O-:77])[O-:78].[CH3:14][n:15]1[n:16][c:17]([CH3:32])[c:18]([NH:20][c:21]2[n:22][cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[c:25]([I:27])[cH:26]2)[cH:19]1.[CH3:33][C:34]1([CH3:35])[c:36]2[cH:37][cH:38][cH:39][c:40]([P:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]2[O:55][c:56]2[c:57]1[cH:58][cH:59][cH:60][c:61]2[P:62]([c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:96][CH2:97][O:98][CH2:99][CH3:100].[Cs+:79].[Cs+:80].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[C:10](=[O:12])[N:9]([CH3:13])[CH2:8][CH2:7]2.[O-:88][C:89]([CH3:90])=[O:91].[O-:92][C:93]([CH3:94])=[O:95].[O:81]1[CH2:82][CH2:83][O:84][CH2:85][CH2:86]1.[Pd+2:87]>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[C:10](=[O:12])[N:9]([CH3:13])[CH2:8][CH2:7]2)[c:25]1[c:24]([C:28]([F:29])([F:30])[F:31])[cH:23][n:22][c:21]([NH:20][c:18]2[c:17]([CH3:32])[n:16][n:15]([CH3:14])[cH:19]2)[cH:26]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 3283Diethyl EtherHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 162026268-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-oneHCID 56951658N-(1,3-dimethylpyrazol-4-yl)-4-iodo-5-(trifluoromethyl)pyridin-2-amine

Product 1

HCID 446088838-[[2-[(1,3-Dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

Sources & evidence

ORD record
ord-15f29026cd5e4ed5bb5517f1a1da7360
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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