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Acetate → 5-Methyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester

HRID 2342698
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반응식

HRID 2342698 반응식
[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](-[c:12]2[cH:13][cH:14][n:15][cH:16][cH:17]2)[n:8][nH:9][c:10]1[CH3:11].[Cl:38][CH2:39][Cl:40].[Cu+2:45].[F:18][C:19]([O:20][c:21]1[cH:22][c:23]([B:27]([OH:28])[OH:29])[cH:24][cH:25][cH:26]1)([F:30])[F:31].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](-[c:12]2[cH:13][cH:14][n:15][cH:16][cH:17]2)[n:8][n:9](-[c:23]2[cH:22][c:21]([O:20][C:19]([F:18])([F:30])[F:31])[cH:26][cH:25][cH:24]2)[c:10]1[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 175Acetate2회HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 27343853-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)HCID 67314713HCID 67314713, 화합물

생성물 1

HCID 67314921
5-Methyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-2acc9df1b22c4a709bc2eb4b246ebcf4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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