Water → 1,1-dioxido-2-(4-(4-(3-propyl-2-oxo-1-benzimidazolinyl)piperidin-1-yl)butyl)-5-chloro-1,2-benzisothiazol-3(2H)-one

HRID 2340400Notes

Reaction equation

HRID 2340400 reaction equation
[CH2:1]([CH2:2][CH3:3])[n:4]1[c:5](=[O:19])[n:6]([CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[O:20]=[S:21]1(=[O:37])[N:22]([CH2:32][CH2:33][CH2:34][CH2:35][Br:36])[C:23](=[O:31])[c:24]2[c:25]1[cH:26][cH:27][c:28]([Cl:30])[cH:29]2.[OH2:45]>>[CH2:1]([CH2:2][CH3:3])[n:4]1[c:5](=[O:19])[n:6]([CH:13]2[CH2:14][CH2:15][N:16]([CH2:35][CH2:34][CH2:33][CH2:32][N:22]3[S:21](=[O:20])(=[O:37])[c:25]4[c:24]([cH:29][c:28]([Cl:30])[cH:27][cH:26]4)[C:23]3=[O:31])[CH2:17][CH2:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 133659801,2-Benzisothiazol-3(2H)-one, 2-(4-bromobutyl)-5-chloro-, 1,1-dioxideHCID 158951351-(Piperidin-4-yl)-3-propyl-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 158721111,1-dioxido-2-(4-(4-(3-propyl-2-oxo-1-benzimidazolinyl)piperidin-1-yl)butyl)-5-chloro-1,2-benzisothiazol-3(2H)-one

Sources & evidence

ORD record
ord-9a4387303ef74a22a62bff91f7e0fb0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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