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

HRID 145709Notes

Reaction equation

HRID 145709 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][cH:6][cH:7][c:8]([P:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][c:29]2[P:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:49][c:50]1[n:51][cH:52][c:53]([Cl:57])[c:54]([I:56])[cH:55]1.[Cs+:47].[Cs+:48].[NH2:58][c:59]1[cH:60][cH:61][cH:62][c:63]2[c:68]1[C:67](=[O:69])[N:66]([CH3:70])[CH2:65][CH2:64]2.[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[Pd+2:77]>>[Cl:49][c:50]1[n:51][cH:52][c:53]([Cl:57])[c:54]([NH:58][c:59]2[cH:60][cH:61][cH:62][c:63]3[c:68]2[C:67](=[O:69])[N:66]([CH3:70])[CH2:65][CH2:64]3)[cH:55]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 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 534009652,5-Dichloro-4-iodopyridine

Product 1

HCID 866551378-[(2,5-Dichloropyridin-4-yl)amino]-2-methyl-3,4-dihydroisoquinolin-1-one

Sources & evidence

ORD record
ord-86a7454d18404701af8bfcee76c7b783
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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