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

HRID 312136Notes

Reaction equation

HRID 312136 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[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+:47].[Cs+:48].[F:26][C:27]([O:28][c:29]1[c:30]([N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:31][cH:32][cH:33][cH:34]1)([F:41])[F: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][N:38]4[CH2:37][CH2:36][N:35]([c:30]5[c:29]([O:28][C:27]([F:26])([F:41])[F:42])[cH:34][cH:33][cH:32][cH:31]5)[CH2:40][CH2:39]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 107529251-(2-Trifluoromethoxyphenyl)piperazineHCID 12992442Methanesulfonic acid 1-[1-(4-chloro-phenyl)-cyclobutanecarbonyl]-piperidin-3-ylmethyl ester

Product 1

HCID 12992447[1-(4-Chloro-phenyl)-cyclobutyl]-{3-[4-(2-trifluoromethoxy-phenyl)-piperazin-1-ylmethyl]-piperidin-1-yl}-methanone

Sources & evidence

ORD record
ord-a645f30d4fae407892fd2714fcb71aad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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