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

HRID 702989Notes

Reaction equation

HRID 702989 reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:8][C:9]([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]([N:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[c:24]1[n:25][c:26]([Cl:32])[n:27][c:28]([Cl:31])[c:29]1[F:30])[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[OH2:52].[s:1]1[cH:2][n:3][c:4]([CH2:6][NH2:7])[cH:5]1>>[s:1]1[cH:2][n:3][c:4]([CH2:6][NH:7][c:28]2[n:27][c:26]([Cl:32])[n:25][c:24]([N:16]([N:15]([C:13]([O:12][C:9]([CH3:8])([CH3:10])[CH3:11])=[O:14])[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[c:29]2[F:30])[cH:5]1

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 150636521,3-Thiazol-4-ylmethanamineHCID 58000755Tris(1,1-dimethylethyl) 2-(2,6-dichloro-5-fluoro-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylate

Product 1

HCID 86637026Tris(1,1-dimethylethyl) 2-{2-chloro-5-fluoro-6-[(1,3-thiazol-4-ylmethyl)amino]-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate

Sources & evidence

ORD record
ord-045fcda292d44630a2dc438df40648b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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