Chloride → {2-amino-3-nitro-6-[1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyridin-4-yl}-benzyl-carbamic acid ethyl ester

HRID 138284Notes

Reaction equation

HRID 138284 reaction equation
[CH2:14]([CH3:15])[O:16][C:17]([N:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[c:27]([N+:34](=[O:35])[O-:36])[c:28]([NH2:33])[n:29][c:30]([Br:32])[cH:31]1)=[O:37].[CH3:1][Si:2]([CH2:3][CH2:4][O:5][CH2:6][n:7]1[cH:8][n:9][cH:10][cH:11]1)([CH3:12])[CH3:13].[Cl-:38].[Cl-:39].[Pd+2:78].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[CH3:1][Si:2]([CH2:3][CH2:4][O:5][CH2:6][n:7]1[c:8](-[c:30]2[n:29][c:28]([NH2:33])[c:27]([N+:34](=[O:35])[O-:36])[c:26]([N:18]([C:17]([O:16][CH2:14][CH3:15])=[O:37])[CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:31]2)[n:9][cH:10][cH:11]1)([CH3:12])[CH3:13]

Participants

6

Reactant 5

HCID 312Chloride2×HCID 11776Triphenylphosphine2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 110526051-((2-(Trimethylsilyl)ethoxy)methyl)-1H-imidazoleHCID 86614485(2-Amino-6-bromo-3-nitro-pyridin-4-yl)-benzyl-carbamic acid ethyl ester

Product 1

HCID 67456488{2-amino-3-nitro-6-[1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyridin-4-yl}-benzyl-carbamic acid ethyl ester

Sources & evidence

ORD record
ord-29fe37c46abc48a986ac52dc13e99c8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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