Phenylethanolamine → 2-chloro-5-fluoro-N4-(2-hydroxy-2-phenylethyl)-4-pyrimidineamine

Reaction equation

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

Participants

Reactant 3

HCID 1000Phenylethanolamine

HCID 2507052,4-Dichloro-5-fluoropyrimidine

HCID 220603622-chloro-5-fluoro-N-(3,4-ethylenedioxyphenyl)-4-pyrimidineamine

Product 1

HCID 220608272-chloro-5-fluoro-N4-(2-hydroxy-2-phenylethyl)-4-pyrimidineamine

Sources & evidence

ORD record: ord-24512ef1c33947cd8ea359f8069333f3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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