Acetate → 3-[3-(2-tert-Butoxycarbonylamino-2-methyl-propyl)-phenyl]-acrylic acid benzyl ester

HRID 2156909Notes

Reaction equation

HRID 2156909 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][c:10]1[cH:11][c:12]([Br:16])[cH:13][cH:14][cH:15]1)([CH3:17])[CH3:18])=[O:19].[C:20]([CH:21]=[CH2:22])(=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][C:65]#[N:66].[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[P:32]([O:33][c:34]1[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]1)([O:41][c:42]1[cH:43][cH:44][c:45]([CH3:46])[cH:47][cH:48]1)[O:49][c:50]1[cH:51][cH:52][c:53]([CH3:54])[cH:55][cH:56]1.[Pd+2:67]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][c:10]1[cH:11][c:12]([CH:22]=[CH:21][C:20](=[O:23])[O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:13][cH:14][cH:15]1)([CH3:17])[CH3:18])=[O:19]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 12106Phosphorous acid, tris(methylphenyl) esterHCID 75617Benzyl acrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 58907464tert-butyl N-[1-(3-bromophenyl)-2-methylpropan-2-yl]carbamate

Product 1

HCID 690235023-[3-(2-tert-Butoxycarbonylamino-2-methyl-propyl)-phenyl]-acrylic acid benzyl ester

Sources & evidence

ORD record
ord-7cb37eee633b4c98bc90fe871f416784
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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