Acetate → Ethyl 3-[6-[(1-benzylpyrrolidin-3-yl)amino]-3-pyridinyl]prop-2-enoate

HRID 95485Notes

Reaction equation

HRID 95485 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[N:56]1[CH2:57][CH:58]([NH2:61])[CH2:59][CH2:60]1.[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[c:30]([N:31]([CH3:32])[CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][n:7]1.[Cs+:47].[Cs+:48].[O-:69][C:70]([CH3:71])=[O:72].[O-:73][C:74]([CH3:75])=[O:76].[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[Pd+2:68]>>[c:2]1([NH:61][CH:58]2[CH2:57][N:56]([CH2:49][c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[CH2:60][CH2:59]2)[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][n:7]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 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 27566131-Benzyl-3-aminopyrrolidineHCID 53406713(E)-Ethyl 3-(6-chloropyridin-3-YL)acrylate

Product 1

HCID 91254562Ethyl 3-[6-[(1-benzylpyrrolidin-3-yl)amino]-3-pyridinyl]prop-2-enoate

Sources & evidence

ORD record
ord-9d020e5a02514718ba95a8e84c6f80f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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