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Acetonitrile → Methyl-phenyl-carbamic Acid 4-trifluoromethyl-pyrimidin-2-yl Ester

HRID 1115540
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HRID 1115540 반응식
[CH3:13][n+:14]1[cH:15][cH:16][n:17]([C:19]([N:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH3:27])=[O:28])[cH:18]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37]#[N:38].[F:1][C:2]([c:3]1[n:4][c:5]([OH:9])[n:6][cH:7][cH:8]1)([F:10])[F:11].[I-:12]>>[F:1][C:2]([c:3]1[n:4][c:5]([O:9][C:19]([N:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH3:27])=[O:28])[n:6][cH:7][cH:8]1)([F:10])[F:11]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 30165Iodide IonHCID 10947885N,3-dimethyl-N-phenylimidazol-3-ium-1-carboxamideHCID 178517744HCID 178517744, 화합물

생성물 1

HCID 69517670Methyl-phenyl-carbamic Acid 4-trifluoromethyl-pyrimidin-2-yl Ester

출처 및 근거

ORD 기록
ord-d07595cdfeb14fa098a0b83be7ac320f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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