Thionyl Chloride → 7-Dimethylamino-4-[3-(3-pyrrolidin-1-ylmethyl-isoxazol-5-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
반응식
[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41]1.[CH3:1][N:2]([c:3]1[cH:4][c:5]2[c:6]([cH:26][c:27]1[C:28]([F:29])([F:30])[F:31])[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[c:18]3[cH:19][c:20]([CH2:23][OH:24])[n:21][o:22]3)[cH:15][cH:16][cH:17]1)=[N:11]2)[CH3:32].[S:33]([Cl:34])([Cl:35])=[O:36]>>[CH3:1][N:2]([c:3]1[cH:4][c:5]2[c:6]([cH:26][c:27]1[C:28]([F:29])([F:30])[F:31])[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[c:18]3[cH:19][c:20]([CH2:23][N:40]4[CH2:39][CH2:38][CH2:37][CH2:41]4)[n:21][o:22]3)[cH:15][cH:16][cH:17]1)=[N:11]2)[CH3:32]참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-356adbf6b7f74abb94d508222ed47562
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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