Dimethyl Sulfoxide → Tris(1,1-dimethylethyl) 2-{2-chloro-5-fluoro-6-[(4-methyl-1-piperazinyl)(1,3-thiazol-2-ylmethyl)amino]-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate

HRID 191992Notes

Reaction equation

HRID 191992 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([NH:8][CH2:9][c:10]2[s:11][cH:12][cH:13][n:14]2)[CH2:6][CH2:7]1.[CH3:22][C:23]([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]([N:30]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:38]1[n:39][c:40]([Cl:46])[n:41][c:42]([Cl:45])[c:43]1[F:44])[C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53].[CH3:54][S:55]([CH3:56])=[O:57]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([N:8]([CH2:9][c:10]2[s:11][cH:12][cH:13][n:14]2)[c:42]2[n:41][c:40]([Cl:46])[n:39][c:38]([N:30]([N:29]([C:27]([O:26][C:23]([CH3:22])([CH3:24])[CH3:25])=[O:28])[C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:43]2[F:44])[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 58000755Tris(1,1-dimethylethyl) 2-(2,6-dichloro-5-fluoro-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylateHCID 669362614-methyl-N-(1,3-thiazol-2-ylmethyl)-1-piperazinamine

Product 1

HCID 86637031Tris(1,1-dimethylethyl) 2-{2-chloro-5-fluoro-6-[(4-methyl-1-piperazinyl)(1,3-thiazol-2-ylmethyl)amino]-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate

Sources & evidence

ORD record
ord-f59b6602d8f84e77b13ba9ebb99f88b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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