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Bicarbonate Ion → 4-(5-Bromo-2-thiophenesulfonyl)-1-[1-(tert-butoxycarbonyl)piperidin-4-ylmethyl]-2-piperazinone

HRID 674041
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인쇄 미리보기

반응식

HRID 674041 반응식
[Br:22][c:23]1[cH:24][cH:25][c:26]([S:28](=[O:29])(=[O:30])[Cl:31])[s:27]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]2[C:16](=[O:21])[CH2:17][NH:18][CH2:19][CH2:20]2)[CH2:12][CH2:13]1.[C:38](=[O:39])([OH:40])[O-:41].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[Na+:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]2[C:16](=[O:21])[CH2:17][N:18]([S:28]([c:26]3[cH:25][cH:24][c:23]([Br:22])[s:27]3)(=[O:29])=[O:30])[CH2:19][CH2:20]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 8857Ethyl AcetateHCID 27339245-Bromothiophene-2-sulfonyl chlorideHCID 234475144-(2-Oxo-piperazin-1-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 234475704-(5-Bromo-2-thiophenesulfonyl)-1-[1-(tert-butoxycarbonyl)piperidin-4-ylmethyl]-2-piperazinone

출처 및 근거

ORD 기록
ord-6ea19c66da2c47658e5d789fef4958e7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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