Ethanol → Tert-butyl 4-(4-(2-acetamidobenzo[d]thiazol-4-yloxy)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-yl)piperazine-1-carboxylate

HRID 289396Notes

Reaction equation

HRID 289396 reaction equation
[CH3:45][CH2:46][OH:47].[Cl:1][c:2]1[n:3][c:4](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[s:17]3)[n:7]1.[N:32]1([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1>>[c:2]1([N:35]2[CH2:34][CH2:33][N:32]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:37][CH2:36]2)[n:3][c:4](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[s:17]3)[n:7]1

Participants

4

Reactant 3

HCID 702EthanolHCID 143452tert-Butyl piperazine-1-carboxylateHCID 58612070N-{4-[2-chloro-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-yloxy]-benzo[d]thiazol-2-yl}-acetamide

Product 1

HCID 11520080Tert-butyl 4-(4-(2-acetamidobenzo[d]thiazol-4-yloxy)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-yl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-ba55cfbd672742ef9e30e9a84e4d7c7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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