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

HRID 1209169Notes

Reaction equation

HRID 1209169 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH:26]([CH3:27])([CH3:28])[O:29][c:30]1[c:31]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35]1.[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.[Cs+:46].[Cs+:47]>>[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:39]4[CH2:38][CH2:37][N:36]([c:31]5[c:30]([O:29][CH:26]([CH3:27])[CH3:28])[cH:35][cH:34][cH:33][cH:32]5)[CH2:41][CH2:40]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 109440161-[2-(Propan-2-yloxy)phenyl]piperazineHCID 12992442Methanesulfonic acid 1-[1-(4-chloro-phenyl)-cyclobutanecarbonyl]-piperidin-3-ylmethyl ester

Product 1

HCID 12992448[1-(4-Chloro-phenyl)-cyclobutyl]-{3-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-piperidin-1-yl}-methanone

Sources & evidence

ORD record
ord-4bccb4ad6c0f47c1818fabadb2614743
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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