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Bicarbonate Ion → N-cyclopropyl-1-{2-ethoxy-4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazole-4-carboxamide

HRID 284954
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HRID 284954 반응식
[C:37](=[O:38])([O-:39])[OH:40].[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[n:15]2[n:16][n:17][c:18]([C:20](=[O:21])[OH:22])[cH:19]2)[cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][CH2:13][CH3:14])[cH:9]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH:23]1([NH2:26])[CH2:24][CH2:25]1.[Na+:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[n:15]2[n:16][n:17][c:18]([C:20](=[O:22])[NH:26][CH:23]3[CH2:24][CH2:25]3)[cH:19]2)[cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][CH2:13][CH3:14])[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 69828CyclopropylamineHCID 757711-Hydroxybenzotriazole
HCID 68515614
1-[2-ethoxy-4-[(ethylamino)carbonyl]phenyl]-1H-1,2,3-Triazole-4-carboxylic acid

생성물 1

HCID 57664951N-cyclopropyl-1-{2-ethoxy-4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazole-4-carboxamide

출처 및 근거

ORD 기록
ord-ba2200e5119a4e09825e3a587e80df51
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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