1-Butanol → 6-chloro-N2-(3-chloro-4-methoxy-phenyl)-N4-cycloheptyl-pyrimidine-2,4-diamine

Reaction equation

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

Participants

Reactant 4

HCID 2631-Butanol

HCID 2899Cycloheptylamine

HCID 8471Triethylamine

HCID 58626087(3-Chloro-4-methoxy-phenyl)-(4,6-dichloro-pyrimidin-2-yl)-amine

Product 1

HCID 586260766-chloro-N2-(3-chloro-4-methoxy-phenyl)-N4-cycloheptyl-pyrimidine-2,4-diamine

Sources & evidence

ORD record: ord-2d9908535b664a3295d912ae0eecbdf3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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