Acetonitrile → HCID 72319318, 화합물

HRID 161776

반응식

HRID 161776 반응식
[CH3:39][C:40]#[N:41].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[NH:10][CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:7][cH:8]1)([F:19])[F:20].[F:21][C:22]([CH2:23][NH:24][C:25]([O:26][c:28]1[cH:29][cH:30][c:31]([N+:32]([O-:33])=[O:34])[cH:35][cH:36]1)=[O:27])([F:37])[F:38]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]([C:25]([NH:24][CH2:23][C:22]([F:21])([F:37])[F:38])=[O:26])[CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:7][cH:8]1)([F:19])[F:20]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 166406961-(4-(Trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinolineHCID 579411714-Nitrophenyl 2,2,2-trifluoroethylcarbamate

생성물 1

HCID 72319318HCID 72319318, 화합물

출처 및 근거

ORD 기록
ord-d922e3c4ef8140c3bfcb8f0e4a3e6a5d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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