Chloroform → 4-[[N-(2-amino-5-chlorobenzoyl) glycyl]aminomethyl]-1-[4-(trifluoromethylthio)benzyl]piperidine
반응식
[CH3:36][C:37]#[N:38].[CH:39]([Cl:40])([Cl:41])[Cl:42].[F:23][C:24]([S:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][Br:31])[cH:32][cH:33]1)([F:34])[F:35].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8](=[O:9])[NH:10][CH2:11][CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:18][c:19]([Cl:22])[cH:20][cH:21]1>>[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8](=[O:9])[NH:10][CH2:11][CH:12]2[CH2:13][CH2:14][N:15]([CH2:30][c:29]3[cH:28][cH:27][c:26]([S:25][C:24]([F:23])([F:34])[F:35])[cH:33][cH:32]3)[CH2:16][CH2:17]2)[cH:18][c:19]([Cl:22])[cH:20][cH:21]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-f8614367a5644b1690d2c860cc161837
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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