Bicarbonate Ion → 4-Chloro-N-[[1-(dimethylamino)cyclopentyl](phenyl)methyl]-2-methylbenzamide

HRID 1575108Notes

Reaction equation

HRID 1575108 reaction equation
[C:64](=[O:65])([OH:66])[O-:67].[CH3:17][N:18]([CH3:19])[C:20]1([CH:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[NH:28][C:29](=[O:30])[c:31]2[c:32]([CH3:33])[cH:34][cH:35][cH:36][c:37]2[CH3:38])[CH2:39][CH2:40][O:41][CH2:42]1.[Cl:43][c:44]1[cH:45][c:46]([CH3:53])[c:47]([C:48](=[O:49])[OH:50])[cH:51][cH:52]1.[Cl:69][CH2:70][Cl:71].[NH2:1][CH:2]([C:3]1([N:8]([CH3:9])[CH3:10])[CH2:4][CH2:5][CH2:6][CH2:7]1)[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[Na+:68].[OH:54][n:55]1[c:56]2[c:57]([cH:58][cH:59][cH:60][cH:61]2)[n:62][n:63]1>>[NH:1]([CH:2]([C:3]1([N:8]([CH3:9])[CH3:10])[CH2:4][CH2:5][CH2:6][CH2:7]1)[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:48]([c:47]1[c:46]([CH3:53])[cH:45][c:44]([Cl:43])[cH:52][cH:51]1)=[O:49]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 3482694-Chloro-2-methylbenzoic acidHCID 11521393{1-[Amino(phenyl)methyl]cyclopentyl}dimethylamineHCID 59347760(+/-)N-[[3-(Dimethylamino)tetrahydro-3-furanyl](phenyl)methyl]-2,6-dimethylbenzamide

Product 1

HCID 593477824-Chloro-N-[[1-(dimethylamino)cyclopentyl](phenyl)methyl]-2-methylbenzamide

Sources & evidence

ORD record
ord-8fd2959b0de644188e4637577ef8684c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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