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Cumene → 4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine

HRID 125338
Notes
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Reaction equation

HRID 125338 reaction equation
[CH3:46][CH2:47][CH2:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][CH:55]([CH3:56])[O-:57].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:63][CH:64]([CH3:65])[O-:66].[CH3:67][CH:68]([CH3:69])[O-:70].[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5]([CH3:34])[n:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([NH:15][c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][CH2:27][N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:20][cH:21]2)[n:12][cH:13][cH:14]1.[O-:35][OH:36].[Ti+4:58].[c:37]1([CH:38]([CH3:39])[CH3:40])[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5]([CH3:34])[n:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([NH:15][c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH3:25])[cH:20][cH:21]2)[n:12][cH:13][cH:14]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 7406CumeneHCID 18500Perhydroxyl radicalHCID 31272Butyl AcetateHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 445890914-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-morpholinopropylsulphonyl)anilino]pyrimidine

Product 1

HCID 16747683
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine

Sources & evidence

ORD record
ord-cd0849f28f0a4e67a0f347230aac612d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes