Acetate → Tert-butyl 3-(2-[[7-(pentafluoroethyl)isoquinolin-1-yl]amino]acetamido)azetidine-1-carboxylate

HRID 686985Notes

Reaction equation

HRID 686985 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:12]([C:13]([F:14])([F:15])[F:16])([F:17])[F:18])[cH:10][c:11]12.[Cs+:39].[Cs+:40].[NH2:19][CH2:20][C:21](=[O:22])[NH:23][CH:24]1[CH2:25][N:26]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:27]1.[O-:88][C:89]([CH3:90])=[O:91].[O-:92][C:93]([CH3:94])=[O:95].[Pd+2:87].[cH:41]1[cH:42][cH:43][c:44]([P:45]([c:46]2[cH:47][cH:48][c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[c:55]2-[c:56]2[c:57]3[c:58]([cH:59][cH:60][cH:61][cH:62]3)[cH:63][cH:64][c:65]2[P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86]1>>[c:2]1([NH:19][CH2:20][C:21](=[O:22])[NH:23][CH:24]2[CH2:25][N:26]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:27]2)[n:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:12]([C:13]([F:14])([F:15])[F:16])([F:17])[F:18])[cH:10][c:11]12

Participants

8

Reactant 7

HCID 175Acetate2×HCID 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 585624761-Chloro-7-(pentafluoroethyl)isoquinoline

Product 1

HCID 86660469Tert-butyl 3-(2-[[7-(pentafluoroethyl)isoquinolin-1-yl]amino]acetamido)azetidine-1-carboxylate

Sources & evidence

ORD record
ord-bc198142c9ce4f5abd56766e68deb122
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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