Acetate → 4-{4-[2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl]-piperazine-1-carboxylic acid benzyl ester

HRID 2326043Notes

Reaction equation

HRID 2326043 reaction equation
[C:37](=[O:38])([O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[N:47]1[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1.[CH3:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[n:17]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[c:18](-[c:21]3[cH:22][cH:23][c:24]([Br:27])[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:36].[CH3:99][C:100]([CH3:101])([O-:102])[CH3:103].[Na+:104].[O-:113][C:114]([CH3:115])=[O:116].[O-:117][C:118]([CH3:119])=[O:120].[Pd+2:112].[cH:53]1[cH:54][cH:55][c:56]([P:57]([c:58]2[cH:59][cH:60][c:61]3[c:62]([cH:63][cH:64][cH:65][cH:66]3)[c:67]2-[c:68]2[c:69]3[c:70]([cH:71][cH:72][cH:73][cH:74]3)[cH:75][cH:76][c:77]2[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98]1>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[n:17]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[c:18](-[c:21]3[cH:22][cH:23][c:24]([N:50]4[CH2:49][CH2:48][N:47]([C:37](=[O:38])[O:39][CH2:40][c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[CH2:52][CH2:51]4)[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:36]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 643495Benzyl piperazine-1-carboxylateHCID 45749132-Methylpropan-2-olateHCID 66620156(1-{2-[5-(4-bromo-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl)-2-methyl-propyl)-carbamic acid methyl ester

Product 1

HCID 666202604-{4-[2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl]-phenyl]-piperazine-1-carboxylic acid benzyl ester

Sources & evidence

ORD record
ord-c9392e73d13d4b82aa1ace57ea9c5fbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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