Thionyl Chloride → {4-[2-(4-Fluoro-phenyl)ethyl]piperazin-1-yl}isoquinolin-3-ylmethanone

HRID 187996

반응식

HRID 187996 반응식
[F:31][c:32]1[cH:33][cH:34][c:35]([CH2:38][CH2:39][N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:36][cH:37]1.[S:14]([Cl:15])([Cl:16])=[O:17].[cH:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[cH:25][c:26]([C:27]([Cl:28])=[O:29])[n:30]1.[cH:1]1[n:2][c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][c:3]([C:11](=[O:13])[N:43]2[CH2:42][CH2:41][N:40]([CH2:39][CH2:38][c:35]3[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]3)[CH2:45][CH2:44]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

참가 물질

5

출처 및 근거

ORD 기록
ord-56be4e89c1bd4e4c9829d4e67cb6a0ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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