Diethyl Ether → Tris(1,1-dimethylethyl) 2-{2-chloro-5-fluoro-6-[(1-methylethyl)amino]-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate

HRID 1153564Notes

Reaction equation

HRID 1153564 reaction equation
[CH3:14][C:15]([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]([N:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:30]1[n:31][c:32]([Cl:38])[n:33][c:34]([Cl:37])[c:35]1[F:36])[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45].[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[CH:1]([CH3:2])([CH3:3])[NH2:4].[CH:5]([N:6]([CH2:7][CH3:8])[CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:34]1[n:33][c:32]([Cl:38])[n:31][c:30]([N:22]([N:21]([C:19]([O:18][C:15]([CH3:14])([CH3:16])[CH3:17])=[O:20])[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:35]1[F:36]

Participants

6

Reactant 5

HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 6363IsopropylamineHCID 81531DiisopropylethylamineHCID 58000755Tris(1,1-dimethylethyl) 2-(2,6-dichloro-5-fluoro-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylate

Product 1

HCID 86636921Tris(1,1-dimethylethyl) 2-{2-chloro-5-fluoro-6-[(1-methylethyl)amino]-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate

Sources & evidence

ORD record
ord-6528fcfb354f49f9ba91e1e71ec95211
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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