Iron → 2-[3-Amino-4-(1-methylethylamino)phenyl]-3-chloro-5-trifluoromethylpyridine

반응식

[Cl:1][c:2]1[c:3](-[c:4]2[cH:5][cH:6][c:7]([OH:8])[c:9]([NH2:10])[cH:11]2)[n:12][cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19]1.[Cl:20][c:21]1[c:22](-[c:31]2[cH:32][c:33]([N+:41]([O-:42])=[O:43])[c:34]([NH:37][CH:38]([CH3:39])[CH3:40])[cH:35][cH:36]2)[n:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[Fe:44]>>[Cl:20][c:21]1[c:22](-[c:31]2[cH:32][c:33]([NH2:41])[c:34]([NH:37][CH:38]([CH3:39])[CH3:40])[cH:35][cH:36]2)[n:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1

참가 물질

반응물 3

HCID 23925Iron

HCID 221148393-Chloro-2-[4-(1-methylethylamino)-3-nitrophenyl]-5-trifluoromethylpyridine

HCID 1355499702-Amino-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenol

생성물 1

HCID 221148412-[3-Amino-4-(1-methylethylamino)phenyl]-3-chloro-5-trifluoromethylpyridine

출처 및 근거

ORD 기록: ord-8d2768763ffa4fcb92230b723a288fa1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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