4-Bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoic acid → [4-Bromo-2-(1,1-dioxoisothiazolidin-2-yl)phenyl][4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazin-1-yl]methanone

HRID 1553243Notes

Reaction equation

HRID 1553243 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:11]2[S:12](=[O:16])(=[O:17])[CH2:13][CH2:14][CH2:15]2)[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH:18]1([c:21]2[cH:22][c:23]([CH3:33])[c:24]([N:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:25][cH:26]2)[CH2:19][CH2:20]1>>[Br:1][c:2]1[cH:3][c:4]([N:11]2[S:12](=[O:16])(=[O:17])[CH2:13][CH2:14][CH2:15]2)[c:5]([C:6](=[O:8])[N:30]2[CH2:29][CH2:28][N:27]([c:24]3[c:23]([CH3:33])[cH:22][c:21]([CH:18]4[CH2:19][CH2:20]4)[cH:26][n:25]3)[CH2:32][CH2:31]2)[cH:9][cH:10]1

Participants

3

Reactant 2

HCID 549330084-Bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoic acidHCID 584847181-(5-Cyclopropyl-3-methylpyridin-2-yl)piperazine

Product 1

HCID 58484554[4-Bromo-2-(1,1-dioxoisothiazolidin-2-yl)phenyl][4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazin-1-yl]methanone

Sources & evidence

ORD record
ord-08c5eb2174884bf59d93796f2bb70087
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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