Sodium Ion → 4-(2,4-dichloro-phenyl)-N2-(1-methyl-butyl)-pyridine-2,3-diamine

반응식

[Cl:1][c:2]1[c:3](-[c:9]2[c:10]([N+:21]([O-:22])=[O:23])[c:11]([NH:15][CH:16]([CH2:17][CH2:18][CH3:19])[CH3:20])[n:12][cH:13][cH:14]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:30].[Na+:31].[S:24]([S:25]([O-:26])=[O:27])([O-:28])=[O:29]>>[Cl:1][c:2]1[c:3](-[c:9]2[c:10]([NH2:21])[c:11]([NH:15][CH:16]([CH2:17][CH2:18][CH3:19])[CH3:20])[n:12][cH:13][cH:14]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

참가 물질

반응물 3

HCID 923Sodium Ion2회

HCID 1086Dithionite

HCID 22052043[4-(2,4-Dichloro-phenyl)-3-nitro-pyridin-2-yl]-(1-methyl-butyl)-amine

생성물 1

HCID 627056474-(2,4-dichloro-phenyl)-N2-(1-methyl-butyl)-pyridine-2,3-diamine

출처 및 근거

ORD 기록: ord-08a44cf9a33a4da68fba532cf461b5e6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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