Potassium Cation → Tert-butyl 4-(5-(2-(3-ethylureido)-6-fluorobenzo[d]thiazol-5-yl)pyrimidin-2-yl)piperazine-1-carboxylate

HRID 1535816Notes

Reaction equation

HRID 1535816 reaction equation
[Br:1][c:2]1[c:3]([F:17])[cH:4][c:5]2[c:6]([n:7][c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][CH3:15])[s:9]2)[cH:16]1.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[cH:27][n:28][c:29]([N:32]3[CH2:33][CH2:34][N:35]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:36][CH2:37]3)[n:30][cH:31]2)[O:45]1.[K+:51].[K+:52].[K+:53].[OH2:54].[P:46]([O-:47])([O-:48])([O-:49])=[O:50]>>[c:2]1(-[c:26]2[cH:27][n:28][c:29]([N:32]3[CH2:33][CH2:34][N:35]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:36][CH2:37]3)[n:30][cH:31]2)[c:3]([F:17])[cH:4][c:5]2[c:6]([n:7][c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][CH3:15])[s:9]2)[cH:16]1

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 46739020tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylateHCID 596030721-(5-Bromo-6-fluoro-benzothiazol-2-yl)-3-ethyl-urea

Product 1

HCID 59603081Tert-butyl 4-(5-(2-(3-ethylureido)-6-fluorobenzo[d]thiazol-5-yl)pyrimidin-2-yl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-614898655cad44acba90e704fd604d37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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