Ethanol → 1-[7-(2-bromo-4-trifluoromethylphenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-4-yl]piperidine-3-carbonitrile

HRID 2345275Notes

Reaction equation

HRID 2345275 reaction equation
[Br:1][c:2]1[c:3](-[n:12]2[c:13]([CH3:24])[c:14]([CH3:23])[c:15]3[c:16]2[n:17][c:18]([CH3:22])[n:19][c:20]3[Cl:21])[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[CH3:42][CH2:43][OH:44].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[NH:25]1[CH2:26][CH:27]([C:31]#[N:32])[CH2:28][CH2:29][CH2:30]1>>[Br:1][c:2]1[c:3](-[n:12]2[c:13]([CH3:24])[c:14]([CH3:23])[c:15]3[c:16]2[n:17][c:18]([CH3:22])[n:19][c:20]3[N:25]2[CH2:26][CH:27]([C:31]#[N:32])[CH2:28][CH2:29][CH2:30]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 81531DiisopropylethylamineHCID 420926Piperidine-3-carbonitrileHCID 598455997-(2-bromo-4-trifluoromethylphenyl)-4-chloro-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 104583591-[7-(2-bromo-4-trifluoromethylphenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-4-yl]piperidine-3-carbonitrile

Sources & evidence

ORD record
ord-dc008bbdaca04669ac7fe12c939ae874
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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