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Chloride → 1-[1-(Tert-butoxycarbonyl)piperidin-4-ylmethyl]-4-(5-vinyl-2-thiophenesulfonyl)-2-piperazinone

HRID 1135805
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반응식

HRID 1135805 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.[CH:31](=[CH2:32])[Sn:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45].[Cl-:47].[Li+:46].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[c:2]1([CH:31]=[CH2:32])[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

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반응물 5

HCID 312ChlorideHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 81998TributylvinyltinHCID 234475704-(5-Bromo-2-thiophenesulfonyl)-1-[1-(tert-butoxycarbonyl)piperidin-4-ylmethyl]-2-piperazinone

생성물 1

HCID 234473631-[1-(Tert-butoxycarbonyl)piperidin-4-ylmethyl]-4-(5-vinyl-2-thiophenesulfonyl)-2-piperazinone

출처 및 근거

ORD 기록
ord-edf771ba55d748e389f30381ec11e84d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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