Dichloromethane → N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-1-(propylamino)isoquinoline-7-carboxamide
반응식
[CH2:1]([CH2:2][CH3:3])[NH:4][c:5]1[n:6][cH:7][cH:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][c:14]12.[CH2:75]([Cl:76])[Cl:77].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[NH2:51][CH:52]([CH:53]([CH2:54][NH:55][CH2:56][c:57]1[cH:58][c:59]([CH2:63][CH3:64])[cH:60][cH:61][cH:62]1)[OH:65])[CH2:66][c:67]1[cH:68][c:69]([F:74])[cH:70][c:71]([F:73])[cH:72]1.[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH2:1]([CH2:2][CH3:3])[NH:4][c:5]1[n:6][cH:7][cH:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:17])[NH:51][CH:52]([CH:53]([CH2:54][NH:55][CH2:56][c:57]3[cH:58][c:59]([CH2:63][CH3:64])[cH:60][cH:61][cH:62]3)[OH:65])[CH2:66][c:67]3[cH:68][c:69]([F:74])[cH:70][c:71]([F:73])[cH:72]3)[cH:13][c:14]12참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-029eca81f1504ac1b1a76e5dd6d62c44
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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