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Bicarbonate Ion → 2-((1-(4-Methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)methoxy)-1-(4-(2-(pyrrolidin-1-yl)ethyl)piperidin-1-yl)ethanone

HRID 299919
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HRID 299919 반응식
[C:38](=[O:39])([O-:40])[OH:41].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:24])[c:6]([S:10](=[O:11])(=[O:12])[N:13]2[CH:14]([CH2:18][O:19][CH2:20][C:21](=[O:22])[OH:23])[CH2:15][CH2:16][CH2:17]2)[c:7]([CH3:9])[cH:8]1.[Cl:43][CH2:44][Cl:45].[N:25]1([CH2:30][CH2:31][CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[CH2:26][CH2:27][CH2:28][CH2:29]1.[Na+:42]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:24])[c:6]([S:10](=[O:11])(=[O:12])[N:13]2[CH:14]([CH2:18][O:19][CH2:20][C:21](=[O:23])[N:35]3[CH2:34][CH2:33][CH:32]([CH2:31][CH2:30][N:25]4[CH2:26][CH2:27][CH2:28][CH2:29]4)[CH2:37][CH2:36]3)[CH2:15][CH2:16][CH2:17]2)[c:7]([CH3:9])[cH:8]1
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반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 2962934-[2-(Pyrrolidin-1-yl)ethyl]piperidineHCID 597464542-((1-(4-Methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)methoxy)acetic acid

생성물 1

HCID 59746448
2-((1-(4-Methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)methoxy)-1-(4-(2-(pyrrolidin-1-yl)ethyl)piperidin-1-yl)ethanone

출처 및 근거

ORD 기록
ord-7c91ec873f3843ff915bbae497a380ac
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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