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1,2-Dichloroethane → 4-(4-chlorophenyl)-N-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1H-pyrrole-2-carboxamide

HRID 678916
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HRID 678916 반응식
[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:1][O:2][c:3]1[cH:4][c:5]([NH2:17])[cH:6][cH:7][c:8]1[O:9][CH2:10][CH2:11][N:12]1[CH2:13][CH2:14][CH2:15][CH2:16]1.[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[cH:26][c:27]([C:30](=[O:31])[OH:32])[nH:28][cH:29]2)[cH:23][cH:24]1.[Na+:51].[O-:47][C:48]([OH:49])=[O:50].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:17][C:30]([c:27]2[cH:26][c:25](-[c:22]3[cH:21][cH:20][c:19]([Cl:18])[cH:24][cH:23]3)[cH:29][nH:28]2)=[O:31])[cH:6][cH:7][c:8]1[O:9][CH2:10][CH2:11][N:12]1[CH2:13][CH2:14][CH2:15][CH2:16]1
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참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 117365033-Methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)aniline
HCID 12897099
4-(4-Chlorophenyl)-1H-pyrrole-2-carboxylic acid

생성물 1

HCID 672155844-(4-chlorophenyl)-N-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1H-pyrrole-2-carboxamide

출처 및 근거

ORD 기록
ord-defe97b781bf4f429cadea2661b27cc0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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