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Dichloromethane → 8-(1-(3,5-difluorophenylamino)ethyl)-6-(morpholine-4-carbonyl)-2-morpholino-4H-chromen-4-one

HRID 1553807
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반응식

HRID 1553807 반응식
[CH2:41]1[CH2:42][O:43][CH2:44][CH2:45][NH:46]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:47][CH2:48][Cl:49].[F:1][c:2]1[cH:3][c:4]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][c:14]([C:29](=[O:30])[OH:31])[cH:15][c:16]3[c:17](=[O:28])[cH:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[o:20][c:21]23)[cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[cH:3][c:4]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][c:14]([C:29](=[O:30])[N:46]3[CH2:41][CH2:42][O:43][CH2:44][CH2:45]3)[cH:15][c:16]3[c:17](=[O:28])[cH:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[o:20][c:21]23)[cH:5][c:6]([F:8])[cH:7]1
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반응물 4

HCID 6344DichloromethaneHCID 8083MorpholineHCID 81531DiisopropylethylamineHCID 582349718-(1-(3,5-difluorophenylamino)ethyl)-2-morpholino-4-oxo-4H-chromene-6-carboxylic acid

생성물 1

HCID 582350538-(1-(3,5-difluorophenylamino)ethyl)-6-(morpholine-4-carbonyl)-2-morpholino-4H-chromen-4-one

출처 및 근거

ORD 기록
ord-36ddb02dadc5448cbc0af0c76527c927
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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