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Bicarbonate Ion → 1-(3,4,5-Trimethoxybenzoyl)-3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine

HRID 124616
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HRID 124616 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:50](=[O:51])([OH:52])[O-:53].[CH3:47][C:48]#[N:49].[CH3:55][O:56][c:57]1[cH:58][c:59]([C:60](=[O:61])[Cl:62])[cH:63][c:64]([O:68][CH3:69])[c:65]1[O:66][CH3:67].[Cl:31][c:32]1[cH:33][c:34]([C:39]2([CH2:44][CH2:45][OH:46])[CH2:40][NH:41][CH2:42][CH2:43]2)[cH:35][cH:36][c:37]1[Cl:38].[Na+:54].[OH2:70]>>[Cl:31][c:32]1[cH:33][c:34]([C:39]2([CH2:44][CH2:45][OH:46])[CH2:40][N:41]([C:60]([c:59]3[cH:58][c:57]([O:56][CH3:55])[c:65]([O:66][CH3:67])[c:64]([O:68][CH3:69])[cH:63]3)=[O:61])[CH2:42][CH2:43]2)[cH:35][cH:36][c:37]1[Cl:38]
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HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6342AcetonitrileHCID 78282Benzoyl chloride, 3,4,5-trimethoxy-HCID 184644272-(3-(3,4-Dichlorophenyl)pyrrolidin-3-yl)ethanolHCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acid

생성물 1

HCID 184644171-(3,4,5-Trimethoxybenzoyl)-3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine

출처 및 근거

ORD 기록
ord-3290a13c63874d36aca42e342b69d606
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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