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Sodium Ion → 2-tert-Butyl-4-cyclopropyl-6-{4-[3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propyl]-piperazin-1-yl}-pyrimidine

HRID 194259
Notes
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Reaction equation

HRID 194259 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[n:17][c:18]([CH:32]2[CH2:33][CH2:34]2)[cH:19][c:20]([N:22]2[CH2:23][CH2:24][N:25]([CH2:28][CH2:29][CH2:30][Cl:31])[CH2:26][CH2:27]2)[n:21]1.[CH3:1][c:2]1[n:3][n:4][c:5]([SH:7])[s:6]1.[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[I-:11].[Li+:8].[Na+:10].[OH-:9]>>[CH3:1][c:2]1[n:3][n:4][c:5]([S:7][CH2:30][CH2:29][CH2:28][N:25]2[CH2:24][CH2:23][N:22]([c:20]3[cH:19][c:18]([CH:32]4[CH2:33][CH2:34]4)[n:17][c:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[n:21]3)[CH2:27][CH2:26]2)[s:6]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 961HydroxideHCID 6228DimethylformamideHCID 28486Lithium ionHCID 30165Iodide IonHCID 690261252-tert-Butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-cyclopropyl-pyrimidineHCID 178434161HCID 178434161, compound

Product 1

HCID 116549402-tert-Butyl-4-cyclopropyl-6-{4-[3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propyl]-piperazin-1-yl}-pyrimidine

Sources & evidence

ORD record
ord-e745f51a9d6c4b7c8e2582536abfa379
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes