Dimethylamine → N,N-Dimethyl-3-(7-nitro-2H-benzo[b][1,4]thiazin-4(3H)-yl)propan-1-amine
반응식
[C:23](=[O:24])([O-:25])[O-:26].[CH3:18][NH:19][CH3:20].[CH3:29][C:30]#[N:31].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2)[S:8][CH2:9][CH2:10]1.[I-:22].[K+:21].[K+:27].[K+:28].[OH2:32]>>[CH2:2]([CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2)[S:8][CH2:9][CH2:10]1)[N:19]([CH3:18])[CH3:20]참가 물질
8
출처 및 근거
- ORD 기록
- ord-0a32eb47bd3a46b58edc6a1d8684049c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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