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Bromide ion → N-(4(5-bromopent-1-yn-1-yl)phenyl)-2,2,2-trifluoroacetamide

HRID 106882
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HRID 106882 반응식
[Br-:47].[CH3:48][CH2:49][C:50](=[O:51])[CH2:52][CH3:53].[Cl:1][CH2:2][CH2:3][CH2:4][C:5]#[C:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[cH:11][cH:12]1.[Cl:40][CH2:41][CH2:42][CH2:43][C:44]#[CH:45].[F:20][C:21]([F:22])([F:23])[C:24]([NH:25][c:26]1[cH:27][cH:28][c:29]([C:30]#[C:31][CH2:32][CH2:33][CH2:34][CH2:35][OH:36])[cH:37][cH:38]1)=[O:39].[Li+:46]>>[CH2:2]([CH2:3][CH2:4][C:5]#[C:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[cH:11][cH:12]1)[Br:47]
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반응물 6

HCID 259Bromide ionHCID 7288Ethyl ketoneHCID 28486Lithium CationHCID 843081-Pentyne, 5-chloro-HCID 575169382,2,2-trifluoro-N-(4-(6-hydroxyhex-1-yn-1-yl)phenyl)acetamideHCID 57516939N-(4-(5-chloropent-1-ynyl)phenyl)-2,2,2-trifluoroacetamide

생성물 1

출처 및 근거

ORD 기록
ord-a1d4b39a27264796b2ebd73b8c3b3d57
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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HCID 56923688
N-(4(5-bromopent-1-yn-1-yl)phenyl)-2,2,2-trifluoroacetamide