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Acetone → 1-(2-methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-phenyl-3-(2-hydroxyethyl)pyrrolidine

HRID 108695
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HRID 108695 반응식
[C:1]([O:2][C:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12][cH:13]1)([CH:14]([C:15]([OH:16])=[O:17])[OH:18])[C:19]([OH:20])=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([O:27][CH3:28])[cH:29][cH:30]1.[C:45](=[O:46])([OH:47])[O-:48].[CH3:50][O:51][c:52]1[c:53]([C:54](=[O:55])[Cl:56])[cH:57][c:58](-[n:61]2[n:62][n:63][n:64][cH:65]2)[cH:59][cH:60]1.[CH3:67][C:68]([CH3:69])=[O:70].[CH3:71][C:72](=[O:73])[CH3:74].[Na+:49].[OH2:66].[c:31]1([C:37]2([CH2:42][CH2:43][OH:44])[CH2:38][NH:39][CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:31]1([C:37]2([CH2:42][CH2:43][OH:44])[CH2:38][N:39]([C:54]([c:53]3[c:52]([O:51][CH3:50])[cH:60][cH:59][c:58](-[n:61]4[n:62][n:63][n:64][cH:65]4)[cH:57]3)=[O:55])[CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1
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참가 물질

8

반응물 7

HCID 180Acetone2회HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 153920222-Methoxy-5-(1H-tetrazol-1-yl)benzoyl ChlorideHCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanolHCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acid

생성물 1

HCID 184644561-(2-methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-phenyl-3-(2-hydroxyethyl)pyrrolidine

출처 및 근거

ORD 기록
ord-df33b2fd99d4444c8ccd4b6a7c0eb08a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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