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Sodium Ion → 1-[1-(Tert-butoxycarbonyl)piperidin-4-ylmethyl]-4-[5-(4-chlorophenyl)-2-thiophenesulfonyl]-2-piperazinone

HRID 1236378
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HRID 1236378 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][C:12](=[O:30])[N:13]([CH2:16][CH:17]3[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]3)[CH2:14][CH2:15]2)[s:6]1.[CH2:47]([CH2:48][O:49][CH3:50])[O:51][CH3:52].[Cl:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([Cl:31])[cH:37][cH:36]2)[cH:3][cH:4][c:5]([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][C:12](=[O:30])[N:13]([CH2:16][CH:17]3[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]3)[CH2:14][CH2:15]2)[s:6]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium Ion2회HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 742994-Chlorophenylboronic acidHCID 234475704-(5-Bromo-2-thiophenesulfonyl)-1-[1-(tert-butoxycarbonyl)piperidin-4-ylmethyl]-2-piperazinone

생성물 1

HCID 23447613
1-[1-(Tert-butoxycarbonyl)piperidin-4-ylmethyl]-4-[5-(4-chlorophenyl)-2-thiophenesulfonyl]-2-piperazinone

출처 및 근거

ORD 기록
ord-e02d8bdc3cb04854977a3f8362634732
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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