Acetonitrile → N-trifluoroacetyl-8-chloro-1-ethyl-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

반응식

[CH3:30][C:31]#[N:32].[Cl:22][N:23]1[C:24](=[O:25])[CH2:26][CH2:27][C:28]1=[O:29].[F:1][C:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:14][cH:15][c:16]([O:18][CH3:19])[cH:17]2)[CH:10]([CH2:12][CH3:13])[CH2:11]1)([F:20])[F:21]>>[F:1][C:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:14][c:15]([Cl:22])[c:16]([O:18][CH3:19])[cH:17]2)[CH:10]([CH2:12][CH3:13])[CH2:11]1)([F:20])[F:21]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 31398Chlorosuccinimide

HCID 22292778HCID 22292778, 화합물

생성물 1

HCID 22292817N-trifluoroacetyl-8-chloro-1-ethyl-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

출처 및 근거

ORD 기록: ord-cbfd229906f14d849f1671e254666e8b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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