Acetate → Isoquinolin-7-amine

HRID 2134509Notes

Reaction equation

HRID 2134509 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[NH:38].[C:90]([O-:91])(=[O:92])[CH3:93].[C:95]([O-:96])(=[O:97])[CH3:98].[Cs+:23].[Cs+:24].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10]2[cH:11][cH:12][n:13][cH:14][c:15]2[cH:16]1)(=[O:17])=[O:18].[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1.[Pd+2:94].[cH:39]1[cH:40][cH:41][c:42]([P:43]([c:44]2[cH:45][cH:46][c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[c:53]2-[c:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[cH:61][cH:62][c:63]2[P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84]1>>[c:7]1([NH2:38])[cH:8][cH:9][c:10]2[cH:11][cH:12][n:13][cH:14][c:15]2[cH:16]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 634876Binap, (A+-)-HCID 15171928Isoquinolin-7-yl trifluoromethanesulfonate

Product 1

HCID 14660277Isoquinolin-7-amine

Sources & evidence

ORD record
ord-6fb056ba7383424fa2ff34d025b0ad79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…