Benzene → 2-Amino-4-bromo-5-chloro-3-fluoro-6-(1,1,3,3-tetramethylbutylamino)pyridine

Reaction equation

[CH3:19][C:20]([CH2:21][C:22]([CH3:23])([CH3:24])[CH3:25])([CH3:26])[NH2:27].[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][C:6]1=[O:7].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[NH2:8][c:9]1[n:10][c:11]([F:18])[c:12]([Cl:17])[c:13]([Br:16])[c:14]1[F:15].[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[NH2:8][c:9]1[n:10][c:11]([NH:27][C:20]([CH3:19])([CH2:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH3:26])[c:12]([Cl:17])[c:13]([Br:16])[c:14]1[F:15]

Participants

Reactant 5

HCID 241Benzene

HCID 8058Hexane

HCID 13387N-methyl-2-pyrrolidone

HCID 61017tert-Octylamine

HCID 221211612-Amino-4-bromo-5-chloro-3,6-difluoropyridine

Product 1

HCID 221211602-Amino-4-bromo-5-chloro-3-fluoro-6-(1,1,3,3-tetramethylbutylamino)pyridine

Sources & evidence

ORD record: ord-f24dd30d80dd44e99fbd077ef272ac7d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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