Bromide ion → (2-{[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-cyclohexyl-methanol
반응식
[Br-:36].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH:37]1([Mg+:43])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([CH:17]=[O:18])[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([CH:17]([OH:18])[CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-0f26a061651a4558a4643240bf4a5c08
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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