Acetate → 6-Aminoisoquinoline

HRID 2347220Notes

Reaction equation

HRID 2347220 reaction equation
[Br:15][c:16]1[cH:17][c:18]2[cH:19][cH:20][n:21][cH:22][c:23]2[cH:24][cH:25]1.[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[NH:14].[C:72](=[O:73])([O-:74])[O-:75].[C:83]([O-:84])(=[O:85])[CH3:86].[C:88]([O-:89])(=[O:90])[CH3:91].[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[Cs+:76].[Cs+:77].[Pd+2:87].[cH:26]1[cH:27][cH:28][c:29]([P:30]([c:31]2[cH:32][cH:33][c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[c:40]2-[c:41]2[c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[cH:48][cH:49][c:50]2[P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71]1>>[NH2:14][c:16]1[cH:17][c:18]2[cH:19][cH:20][n:21][cH:22][c:23]2[cH:24][cH:25]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 136809Benzophenone imineHCID 3136816-BromoisoquinolineHCID 634876Binap, (A+-)-

Product 1

HCID 5889916-Aminoisoquinoline

Sources & evidence

ORD record
ord-c2888cb3d161402983135fbb3307f80a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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