Acetate → 3-[2-(tert-Butoxycarbonylamino-methyl)-phenyl]-but-2-enoic Acid Ethyl Ester

HRID 206451Notes

Reaction equation

HRID 206451 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH2:9][c:10]1[c:11]([Br:16])[cH:12][cH:13][cH:14][cH:15]1.[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:52]([CH3:53])[O:54][C:55]([CH:56]=[CH:57][CH3:58])=[O:59].[CH3:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][CH3:29].[Pd+2:64].[c:30]1([CH3:31])[cH:32][cH:33][cH:34][cH:35][c:36]1[P:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1[CH3:51]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH2:9][c:10]1[c:11]([C:57](=[CH:56][C:55]([O:54][CH2:52][CH3:53])=[O:59])[CH3:58])[cH:12][cH:13][cH:14][cH:15]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 7622TributylamineHCID 121912-Butenoic acid, ethyl esterHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 70183002-Bromo-N-(tert-butoxycarbonyl)benzylamine

Product 1

HCID 692191913-[2-(tert-Butoxycarbonylamino-methyl)-phenyl]-but-2-enoic Acid Ethyl Ester

Sources & evidence

ORD record
ord-8c76d2b8b339407e9bada3592076ee5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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