Sodium ion → N-[2-[[1-[4-[6-(azetidin-1-yl)-3-pyridinyl]-4-hydroxycyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

HRID 316572Notes

Reaction equation

HRID 316572 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[Cl:47][CH2:48][Cl:49].[N:1]1([c:5]2[cH:6][cH:7][c:8]([C:11]3([OH:18])[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]3)[cH:9][n:10]2)[CH2:2][CH2:3][CH2:4]1.[NH:19]1[CH2:20][CH:21]([NH:24][C:25](=[O:26])[CH2:27][NH:28][C:29]([c:30]2[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]2)=[O:40])[CH2:22][CH2:23]1.[Na+:45].[Na+:46]>>[N:1]1([c:5]2[cH:6][cH:7][c:8]([C:11]3([OH:18])[CH2:12][CH2:13][CH:14]([N:19]4[CH2:20][CH:21]([NH:24][C:25](=[O:26])[CH2:27][NH:28][C:29]([c:30]5[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]5)=[O:40])[CH2:22][CH2:23]4)[CH2:15][CH2:16]3)[cH:9][n:10]2)[CH2:2][CH2:3][CH2:4]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 18426146N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]-3-(trifluoromethyl)benzamideHCID 595560894-(6-Azetidin-1-ylpyridin-3-yl)-4-hydroxycyclohexanone

Product 1

HCID 69367209N-[2-[[1-[4-[6-(azetidin-1-yl)-3-pyridinyl]-4-hydroxycyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-be5f7bec0df74056a34d607a74f4bed8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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