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Potassium Cation → 5-(2-(6-(trifluoromethyl)pyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-2,6-dimethyl-1H-pyrido[4,3-b]indole

HRID 196534
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반응식

HRID 196534 반응식
[CH3:1][N:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[c:8]([CH3:13])[cH:9][cH:10][cH:11][c:12]23)[CH2:14][CH2:15]1.[CH3:31][N:32]1[CH2:33][CH2:34][CH2:35][C:36]1=[O:37].[F:18][C:19]([c:20]1[n:21][cH:22][c:23]([CH:26]=[CH2:27])[cH:24][cH:25]1)([F:28])[F:29].[K+:17].[OH-:16].[OH2:30]>>[CH3:1][N:2]1[CH2:3][c:4]2[c:5]([n:6]([CH2:27][CH2:26][c:23]3[cH:22][n:21][c:20]([C:19]([F:18])([F:28])[F:29])[cH:25][cH:24]3)[c:7]3[c:8]([CH3:13])[cH:9][cH:10][cH:11][c:12]23)[CH2:14][CH2:15]1
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참가 물질

7

반응물 6

HCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 5939582,6-Dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoleHCID 574168485-Ethenyl-2-(trifluoromethyl)pyridine

생성물 1

HCID 578761375-(2-(6-(trifluoromethyl)pyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-2,6-dimethyl-1H-pyrido[4,3-b]indole

출처 및 근거

ORD 기록
ord-e04b4162277f43848536846434dc2aa6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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