Potassium Cation → 4-Chloro-3-cyclopropyl-N-{(3RS,4SR)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-N-methyl-benzamide

HRID 163424Notes

Reaction equation

HRID 163424 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]([CH3:8])[CH:9]2[CH2:10][N:11]([C:22](=[O:23])[CH:24]3[CH2:25][CH2:26][N:27]([C:30](=[O:31])[C:32]4([CH3:35])[CH2:33][CH2:34]4)[CH2:28][CH2:29]3)[CH2:12][CH:13]2[c:14]2[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]2)[cH:36][cH:37][c:38]1[Cl:39].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[CH:47]1([P:48]([CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[CH:60]2[CH2:51][CH2:50][CH2:49][CH2:64][CH2:65]2)[CH2:58][CH2:59][CH2:61][CH2:62][CH2:63]1.[K+:45].[N+3:46].[OH2:73].[P:40]([O-:41])([O-:42])([O-:43])=[O:44]>>[c:2]1([CH:64]2[CH2:60][CH2:65]2)[cH:3][c:4]([C:5](=[O:6])[N:7]([CH3:8])[CH:9]2[CH2:10][N:11]([C:22](=[O:23])[CH:24]3[CH2:25][CH2:26][N:27]([C:30](=[O:31])[C:32]4([CH3:35])[CH2:33][CH2:34]4)[CH2:28][CH2:29]3)[CH2:12][CH:13]2[c:14]2[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]2)[cH:36][cH:37][c:38]1[Cl:39]

Participants

8

Reactant 7

HCID 813Potassium CationHCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 670256993-bromo-4-chloro-N-{(3RS,4SR)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-N-methyl-benzamideHCID 178507075HCID 178507075, compound

Product 1

HCID 670256854-Chloro-3-cyclopropyl-N-{(3RS,4SR)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-N-methyl-benzamide

Sources & evidence

ORD record
ord-04adda2adb4b45289ccc723d97222769
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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