Potassium Cation → 7-chloro-6-[(2-cyclohexyl-benzothiazol-6-yl-methyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
반응식
[Br:20][CH2:21][c:22]1[cH:23][c:24]2[c:25]([n:26][c:27]([CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[s:28]2)[cH:35][cH:36]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[K+:41].[K+:42].[NH2:1][c:2]1[c:3]([Cl:19])[cH:4][cH:5][c:6]2[c:12]1[CH2:11][CH2:10][N:9]([C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[CH2:8][CH2:7]2>>[NH:1]([c:2]1[c:3]([Cl:19])[cH:4][cH:5][c:6]2[c:12]1[CH2:11][CH2:10][N:9]([C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[CH2:8][CH2:7]2)[CH2:21][c:22]1[cH:23][c:24]2[c:25]([n:26][c:27]([CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[s:28]2)[cH:35][cH:36]1참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-d2edcc24ff85441184ce2cc360f4b295
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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