Carbonate Ion → [1-(4-Chloro-phenyl)-cyclobutyl]-{3-[4-(2-chloro-phenyl)-piperazin-1-ylmethyl]-piperidin-1-yl}-methanone

HRID 91930

Reaction equation

HRID 91930 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:12](=[O:13])[N:14]3[CH2:15][CH:16]([CH2:20][O:21][S:22]([CH3:23])(=[O:24])=[O:25])[CH2:17][CH2:18][CH2:19]3)[CH2:9][CH2:10][CH2:11]2)[cH:6][cH:7]1.[Cl:26][c:27]1[c:28]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:29][cH:30][cH:31][cH:32]1.[Cs+:43].[Cs+:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:12](=[O:13])[N:14]3[CH2:15][CH:16]([CH2:20][N:36]4[CH2:35][CH2:34][N:33]([c:28]5[c:27]([Cl:26])[cH:32][cH:31][cH:30][cH:29]5)[CH2:38][CH2:37]4)[CH2:17][CH2:18][CH2:19]3)[CH2:9][CH2:10][CH2:11]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 4156281-(2-Chlorophenyl)piperazineHCID 12992442Methanesulfonic acid 1-[1-(4-chloro-phenyl)-cyclobutanecarbonyl]-piperidin-3-ylmethyl ester

Product 1

HCID 11477295[1-(4-Chloro-phenyl)-cyclobutyl]-{3-[4-(2-chloro-phenyl)-piperazin-1-ylmethyl]-piperidin-1-yl}-methanone

Sources & evidence

ORD record
ord-84a4ef8ff994407db3b155f30d20da87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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