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Hydrogen Bromide → 8-(1-((3,5-difluorophenyl)(methyl)amino)ethyl)-2-morpholino-6-(pyrrolidine-1-carbonyl)-4H-chromen-4-one

HRID 294142
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HRID 294142 반응식
[Br:12][CH:13]([CH3:14])[c:15]1[cH:16][c:17]([C:32](=[O:33])[N:34]2[CH2:35][CH2:36][CH2:37][CH2:38]2)[cH:18][c:19]2[c:20](=[O:31])[cH:21][c:22]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[o:23][c:24]12.[BrH:11].[C:48](#[N:49])[CH3:50].[CH3:45][OH:46].[Cl:41][CH:42]([Cl:43])[Cl:44].[F:1][c:2]1[cH:3][c:4]([NH:5][CH3:6])[cH:7][c:8]([F:10])[cH:9]1.[I-:40].[K+:39].[OH2:47]>>[F:1][c:2]1[cH:3][c:4]([N:5]([CH3:6])[CH:13]([CH3:14])[c:15]2[cH:16][c:17]([C:32](=[O:33])[N:34]3[CH2:35][CH2:36][CH2:37][CH2:38]3)[cH:18][c:19]3[c:20](=[O:31])[cH:21][c:22]([N:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)[o:23][c:24]23)[cH:7][c:8]([F:10])[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 260Hydrogen BromideHCID 813Potassium CationHCID 887MethanolHCID 962WaterHCID 6212ChloroformHCID 6342AcetonitrileHCID 30165Iodide IonHCID 167203773,5-difluoro-N-methylaniline
HCID 58235008
8-(1-bromoethyl)-2-morpholino-6-(pyrrolidine-1-carbonyl)-4H-chromen-4-one

생성물 1

HCID 582350438-(1-((3,5-difluorophenyl)(methyl)amino)ethyl)-2-morpholino-6-(pyrrolidine-1-carbonyl)-4H-chromen-4-one

출처 및 근거

ORD 기록
ord-c4718239c8f147108b2a82af27c58f1d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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