Iodide Ion → [3-(4-Trifluoromethoxy-phenyl)-prop-2-ynyl]-carbamic acid tert-butyl ester

반응식

[CH2:1]([C:2]#[CH:3])[NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11].[I-:24].[I:12][c:13]1[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]1>>[CH2:1]([C:2]#[C:3][c:13]1[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]1)[NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11]

참가 물질

반응물 3

HCID 30165Iodide Ion

HCID 27772941-Iodo-4-(trifluoromethoxy)benzene

HCID 11073648tert-butyl N-(prop-2-yn-1-yl)carbamate

생성물 1

HCID 68823297[3-(4-Trifluoromethoxy-phenyl)-prop-2-ynyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-b3981f75c0ec4ab686eeb3a468961178
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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