Chloride → (2-Amino-3-nitro-6-oxazol-2-yl-pyridin-4-yl)-(3-cyano-benzyl)-carbamic acid ethyl ester

HRID 1544329Notes

Reaction equation

HRID 1544329 reaction equation
[CH2:6]([CH3:7])[O:8][C:9]([N:10]([CH2:11][c:12]1[cH:13][c:14]([C:18]#[N:19])[cH:15][cH:16][cH:17]1)[c:20]1[c:21]([N+:28](=[O:29])[O-:30])[c:22]([NH2:27])[n:23][c:24]([Br:26])[cH:25]1)=[O:31].[Cl-:32].[Cl-:33].[Pd+2:72].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[o:1]1[cH:2][n:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:24]2[n:23][c:22]([NH2:27])[c:21]([N+:28](=[O:29])[O-:30])[c:20]([N:10]([C:9]([O:8][CH2:6][CH3:7])=[O:31])[CH2:11][c:12]3[cH:13][c:14]([C:18]#[N:19])[cH:15][cH:16][cH:17]3)[cH:25]2)[n:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 312Chloride2×HCID 9255OxazoleHCID 11776Triphenylphosphine2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 86614489(2-Amino-6-bromo-3-nitro-pyridin-4-yl)-(3-cyano-benzyl)-carbamic acid ethyl ester

Product 1

HCID 67456888(2-Amino-3-nitro-6-oxazol-2-yl-pyridin-4-yl)-(3-cyano-benzyl)-carbamic acid ethyl ester

Sources & evidence

ORD record
ord-782a430b86b243a2a50ab9751b111699
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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