HRID125338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7406

Cumene

C9H12

HCID18500

Perhydroxyl radical

HO2-

HCID31272

Butyl acetate

C6H12O2

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

结构：Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)CCCN4CCOCC4)cc3)n2)n1C(C)C

HCID44589091

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C

HCID16747683

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

C18H21N5O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd0849f28f0a4e67a0f347230aac612d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[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