Dimethyl Sulfoxide → 4-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide

HRID 699097

Reaction equation

HRID 699097 reaction equation
[CH3:45][S:46](=[O:47])[CH3:48].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[F:16][c:17]1[c:18](-[c:24]2[n:25][c:26]([N:29]3[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]3)[s:27][cH:28]2)[cH:19][cH:20][cH:21][c:22]1[F:23].[OH2:44].[n:1]1[n:2][c:3]([NH:7][C:8]([O:9][CH2:10][C:11]([Cl:12])([Cl:13])[Cl:14])=[O:15])[cH:4][cH:5][cH:6]1>>[n:1]1[n:2][c:3]([NH:7][C:8](=[O:15])[N:32]2[CH2:31][CH2:30][N:29]([c:26]3[n:25][c:24](-[c:18]4[c:17]([F:16])[c:22]([F:23])[cH:21][cH:20][cH:19]4)[cH:28][s:27]3)[CH2:34][CH2:33]2)[cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 685766982,2,2-Trichloroethyl pyridazin-3-ylcarbamateHCID 687762891-[4-(2,3-Difluorophenyl)-1,3-thiazol-2-yl]piperazine

Product 1

HCID 116255254-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide

Sources & evidence

ORD record
ord-9f2cd06c301446f8b56bbab85d9d3b2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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