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

HRID 2328685Notes

Reaction equation

HRID 2328685 reaction equation
[CH2:6]([CH3:7])[O:8][C:9]([N:10]([CH2:11][c:12]1[cH:13][n:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]1)[c:22]1[c:23]([N+:30](=[O:31])[O-:32])[c:24]([NH2:29])[n:25][c:26]([Br:28])[cH:27]1)=[O:33].[Cl-:34].[Cl-:35].[Pd+2:74].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[o:1]1[cH:2][n:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:26]2[n:25][c:24]([NH2:29])[c:23]([N+:30](=[O:31])[O-:32])[c:22]([N:10]([C:9]([O:8][CH2:6][CH3:7])=[O:33])[CH2:11][c:12]3[cH:13][n:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]3)[cH:27]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 86614486(2-Amino-6-bromo-3-nitro-pyridin-4-yl)-(6-trifluoromethyl-pyridin-3-ylmethyl)-carbamic acid ethyl ester

Product 1

HCID 67457746(2-Amino-3-nitro-6-oxazol-2-yl-pyridin-4-yl)-(6-trifluoromethyl-pyridin-3-ylmethyl)-carbamic acid ethyl ester

Sources & evidence

ORD record
ord-9127168df7e84c408357561bc5340265
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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