Ethanolamine → 6-(2,4-Dichloro-phenyl)-5-methylaminomethyl-2-phenyl-pyrimidin-4-ylamine

HRID 672665Notes

Reaction equation

HRID 672665 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:33][I:34].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH:1]12[CH2:2][CH2:3][CH2:4][CH:5]([BH:6]1)[CH2:7][CH2:8][CH2:9]2.[NH2:10][c:11]1[n:12][c:13](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[n:14][c:15](-[c:19]2[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[c:16]1[C:17]#[N:18].[NH2:35][CH2:36][CH2:37][OH:38]>>[CH3:1][NH:18][CH2:17][c:16]1[c:11]([NH2:10])[n:12][c:13](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[n:14][c:15]1-[c:19]1[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]1

Participants

7

Reactant 6

HCID 700EthanolamineHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 8058HexaneHCID 789669-Borabicyclo(3.3.1)nonaneHCID 155282984-Amino-6-(2,4-dichloro-phenyl)-2-phenyl-pyrimidine-5-carbonitrile

Product 1

HCID 101261346-(2,4-Dichloro-phenyl)-5-methylaminomethyl-2-phenyl-pyrimidin-4-ylamine

Sources & evidence

ORD record
ord-5f6ff75295064555b231c518c48ff462
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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