Acetate → Tert-butyl 3-(2-(7-(trifluoromethyl)isoquinolin-1-ylamino)acetamido)azetidine-1-carboxylate

HRID 1536511Notes

Reaction equation

HRID 1536511 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][c:11]12.[Cs+:36].[Cs+:37].[NH2:16][CH2:17][C:18](=[O:19])[NH:20][CH:21]1[CH2:22][N:23]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:24]1.[O-:85][C:86]([CH3:87])=[O:88].[O-:89][C:90]([CH3:91])=[O:92].[Pd+2:84].[cH:38]1[cH:39][cH:40][c:41]([P:42]([c:43]2[cH:44][cH:45][c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[c:52]2-[c:53]2[c:54]3[c:55]([cH:56][cH:57][cH:58][cH:59]3)[cH:60][cH:61][c:62]2[P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83]1>>[c:2]1([NH:16][CH2:17][C:18](=[O:19])[NH:20][CH:21]2[CH2:22][N:23]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:24]2)[n:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][c:11]12

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 18699815Tert-butyl 3-(2-aminoacetamido)azetidine-1-carboxylateHCID 585626771-Chloro-7-(trifluoromethyl)isoquinoline

Product 1

HCID 68003851Tert-butyl 3-(2-(7-(trifluoromethyl)isoquinolin-1-ylamino)acetamido)azetidine-1-carboxylate

Sources & evidence

ORD record
ord-0b2672226e89463fb7011e8e0d8be730
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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