Sodium ion → 7-(4-Bromo-2-fluorophenyl)-4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine

HRID 117246Notes

Reaction equation

HRID 117246 reaction equation
[Br:17][c:18]1[cH:19][c:20]([F:34])[c:21]([N:24]2[CH2:25][CH2:26][c:27]3[c:28]2[n:29][cH:30][n:31][c:32]3[Cl:33])[cH:22][cH:23]1.[Br:46][c:47]1[cH:48][cH:49][c:50]([NH2:51])[c:52]([F:53])[cH:54]1.[Cl:35][c:36]1[c:37]([CH2:38][CH:39]=[O:40])[c:41]([Cl:42])[n:43][cH:44][n:45]1.[F:1][c:2]1[cH:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]2)[n:6][cH:7]1.[H-:16].[Na+:15]>>[F:1][c:2]1[cH:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:32]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[N:24]([c:21]3[c:20]([F:34])[cH:19][c:18]([Br:17])[cH:23][cH:22]3)[CH2:25][CH2:26]4)[CH2:12][CH2:13]2)[n:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 1230504-Bromo-2-fluoroanilineHCID 166653HydrideHCID 13989292(4,6-Dichloropyrimidin-5-yl)acetaldehydeHCID 601378121-(5-Fluoropyrimidin-2-yl)piperidin-4-olHCID 866373857-(4-Bromo-2-fluorophenyl)-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 248978837-(4-Bromo-2-fluorophenyl)-4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record
ord-bb8ed852e29d4bd2842ef254e6fa49cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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