Potassium Cation → 4-{3-[2-chloro-4-(4-cyano-1-methyl-1H-imidazo[4,5-c]pyridin-6-yl)-6-trifluoromethyl-phenoxy]-propyl}-piperazine-1-carboxylic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][Br:17])[CH2:12][CH2:13]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][C:55]#[N:56].[Cl:18][c:19]1[cH:20][c:21](-[c:30]2[cH:31][c:32]3[c:33]([c:34]([C:36]#[N:37])[n:35]2)[n:38][cH:39][n:40]3[CH3:41])[cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[c:24]1[OH:25].[K+:46].[K+:47].[OH2:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:25][c:24]2[c:19]([Cl:18])[cH:20][c:21](-[c:30]3[cH:31][c:32]4[c:33]([c:34]([C:36]#[N:37])[n:35]3)[n:38][cH:39][n:40]4[CH3:41])[cH:22][c:23]2[C:26]([F:27])([F:28])[F:29])[CH2:12][CH2:13]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-6ce8e5b1da234767a95dd03723c82eb4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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