Potassium Cation → [3-(3,4-Dichlorophenyl)-3-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

HRID 2122352Notes

Reaction equation

HRID 2122352 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:59]([C:60]([CH3:61])=[O:62])[CH3:63].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32].[CH3:41][n:42]1[c:43]([NH:51][CH:52]2[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]2)[n:44][c:45]2[c:46]1[cH:47][cH:48][cH:49][cH:50]2.[K+:39].[K+:40].[OH2:58]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:55]3[CH2:54][CH2:53][CH:52]([NH:51][c:43]4[n:42]([CH3:41])[c:46]5[c:45]([n:44]4)[cH:50][cH:49][cH:48][cH:47]5)[CH2:57][CH2:56]3)([c:20]3[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 19660Carbonate IonHCID 158408993-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidineethanol methansulfonateHCID 22009124(1-methyl-1H-benzimidazol-2-yl)(piperidin-4-yl)amine

Product 1

HCID 9939601[3-(3,4-Dichlorophenyl)-3-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Sources & evidence

ORD record
ord-07f95f6fb5e24b57b0e6fe40e7eacd80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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