Trifluoroacetic acid → 4'-[(2-n-Butylthio-benzimidazol-1-yl)-methyl]biphenyl-2-carboxylic acid
반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[S:5][c:6]1[n:7][c:8]2[c:9]([n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]1)[cH:31][cH:32][cH:33][cH:34]2.[OH:35][C:36]([C:37]([F:38])([F:39])[F:40])=[O:41]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[S:5][c:6]1[n:7][c:8]2[c:9]([n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24](=[O:25])[OH:26])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]1)[cH:31][cH:32][cH:33][cH:34]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-7e5c8c47fed54bc6a45eb0cea59dfe73
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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