1,2-Dichloroethane → 1-(3-(4,6-Dimethylpyridin-2-ylamino)pyrrolidin-1-yl)-2-(4-trifluoromethoxyphenyl)ethanone

HRID 181600

Reaction equation

HRID 181600 reaction equation
[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:7][c:8]1[cH:9][c:10]([NH:15][CH:16]2[CH2:17][NH:18][CH2:19][CH2:20]2)[n:11][c:12]([CH3:14])[cH:13]1.[CH:52]([Cl:53])([Cl:54])[Cl:55].[ClH:40].[F:21][C:22]([O:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[OH:33])[cH:28][cH:29]1)([F:34])[F:35].[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:51].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[CH3:7][c:8]1[cH:9][c:10]([NH:15][CH:16]2[CH2:17][N:18]([C:31]([CH2:30][c:27]3[cH:26][cH:25][c:24]([O:23][C:22]([F:21])([F:34])[F:35])[cH:29][cH:28]3)=[O:32])[CH2:19][CH2:20]2)[n:11][c:12]([CH3:14])[cH:13]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 6212ChloroformHCID 279461-PyrrolidinamineHCID 757711-HydroxybenzotriazoleHCID 27773192-[4-(Trifluoromethoxy)phenyl]acetic acidHCID 579701123-(4,6-Dimethylpyridin-2-ylamino)pyrrolidine

Product 1

HCID 579702121-(3-(4,6-Dimethylpyridin-2-ylamino)pyrrolidin-1-yl)-2-(4-trifluoromethoxyphenyl)ethanone

Sources & evidence

ORD record
ord-f5926dbe956c4aaf93cd374f1d2af37d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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