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

HRID 212959Notes

Reaction equation

HRID 212959 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([N:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[c:17]1[n:18][c:19]([Cl:25])[n:20][c:21]([Cl:24])[c:22]1[F:23])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][NH:41][CH2:42][c:43]1[s:44][cH:45][cH:46][n:47]1.[OH2:53]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([N:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[c:17]1[n:18][c:19]([Cl:25])[n:20][c:21]([N:41]([CH3:40])[CH2:42][c:43]2[s:44][cH:45][cH:46][n:47]2)[c:22]1[F:23])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32]

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 18939834Methyl((1,3-thiazol-2-yl)methyl)amineHCID 58000755Tris(1,1-dimethylethyl) 2-(2,6-dichloro-5-fluoro-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylate

Product 1

HCID 86637002Tris(1,1-dimethylethyl) 2-{2-chloro-5-fluoro-6-[methyl(1,3-thiazol-2-ylmethyl)amino]-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate

Sources & evidence

ORD record
ord-8b4e5c00e4254253af8677abb95aaebf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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