Ethanol → 4-Ethyl-6-[1-(1-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyrimidin-2-amine

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 1049Pyridine

HCID 223243042-Amino-4-chloro-6-ethylpyrimidine

HCID 22646884(3aS,6aS)-1-((R)-1-Phenylethyl)octahydropyrrolo[3,4-b]pyrrole

Product 1

HCID 670963534-Ethyl-6-[1-(1-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyrimidin-2-amine

Sources & evidence

ORD record: ord-9efa43306eb640c88ab52c8b7759dbcd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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