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Acetic Acid → Ethyl 5-fluoro-1-(4,6-dimethylpyridin-2-yl)-1H-indole-2-carboxylate

HRID 1134402
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HRID 1134402 반응식
[Br:16][c:17]1[n:18][c:19]([CH3:24])[cH:20][c:21]([CH3:23])[cH:22]1.[CH3:33][NH:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH:40]1[NH:41][CH3:42].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cu:43]([I:44])[I:45].[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:7][c:8]2[cH:9][cH:10]1.[K+:30].[K+:31].[K+:32].[OH2:56].[P:25]([O-:26])([O-:27])([O-:28])=[O:29]>>[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:7](-[c:17]3[n:18][c:19]([CH3:24])[cH:20][c:21]([CH3:23])[cH:22]3)[c:8]2[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 176Acetic AcidHCID 813Potassium Cation3회HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 83717Copper iodideHCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamine
HCID 2727899ethyl 5-fluoro-1H-indole-2-carboxylate
HCID 149751952-Bromo-4,6-dimethylpyridine

생성물 1

HCID 66845370Ethyl 5-fluoro-1-(4,6-dimethylpyridin-2-yl)-1H-indole-2-carboxylate

출처 및 근거

ORD 기록
ord-094ba9feeb4b49d3950c51b9a249f20f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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