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Bicarbonate Ion → N-Cyclopentyl-N-(2,2-dimethoxyethyl)-3-(3-(1-propyl-1H-pyrazol-4-yl)phenethoxy)propanamide

HRID 673939
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HRID 673939 반응식
[C:42](=[O:43])([O-:44])[OH:45].[CH2:1]([CH2:2][CH3:3])[n:4]1[n:5][cH:6][c:7](-[c:9]2[cH:10][c:11]([CH2:12][CH2:13][O:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22]2)[cH:8]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:30][O:31][CH:32]([CH2:33][NH:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1)[O:40][CH3:41].[CH3:52][C:53]#[N:54].[Na+:46]>>[CH2:1]([CH2:2][CH3:3])[n:4]1[n:5][cH:6][c:7](-[c:9]2[cH:10][c:11]([CH2:12][CH2:13][O:14][CH2:15][CH2:16][C:17](=[O:19])[N:34]([CH2:33][CH:32]([O:31][CH3:30])[O:40][CH3:41])[CH:35]3[CH2:36][CH2:37][CH2:38][CH2:39]3)[cH:20][cH:21][cH:22]2)[cH:8]1
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참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 58168622N-(2,2-dimethoxyethyl)cyclopentanamineHCID 592904323-(3-(1-propyl-1H-pyrazol-4-yl)phenethoxy)propanoic acid

생성물 1

HCID 59290380N-Cyclopentyl-N-(2,2-dimethoxyethyl)-3-(3-(1-propyl-1H-pyrazol-4-yl)phenethoxy)propanamide

출처 및 근거

ORD 기록
ord-8507f07a2d0d4e36bf633d5826f6b579
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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