Dichloromethane → 1-[butyl(methyl)amino]-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]isoquinoline-7-carboxamide

HRID 2138764

반응식

HRID 2138764 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([c:6]1[n:7][cH:8][cH:9][c:10]2[cH:11][cH:12][c:13]([C:16](=[O:17])[OH:18])[cH:14][c:15]12)[CH3:19].[CH2:77]([Cl:78])[Cl:79].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[NH2:53][CH:54]([CH:55]([CH2:56][NH:57][CH2:58][c:59]1[cH:60][c:61]([CH2:65][CH3:66])[cH:62][cH:63][cH:64]1)[OH:67])[CH2:68][c:69]1[cH:70][c:71]([F:76])[cH:72][c:73]([F:75])[cH:74]1.[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([c:6]1[n:7][cH:8][cH:9][c:10]2[cH:11][cH:12][c:13]([C:16](=[O:18])[NH:53][CH:54]([CH:55]([CH2:56][NH:57][CH2:58][c:59]3[cH:60][c:61]([CH2:65][CH3:66])[cH:62][cH:63][cH:64]3)[OH:67])[CH2:68][c:69]3[cH:70][c:71]([F:76])[cH:72][c:73]([F:75])[cH:74]3)[cH:14][c:15]12)[CH3:19]

참가 물질

7

반응물 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 210851781-[Butyl(methyl)amino]isoquinoline-7-carboxylic acidHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

생성물 1

HCID 737413521-[butyl(methyl)amino]-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]isoquinoline-7-carboxamide

출처 및 근거

ORD 기록
ord-1b4bfc25ab4a4b29a044271d701f6888
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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