HRID663415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID67124337

3-(Aminomethyl)-6-methyl-4-(propan-2-yl)pyridin-2(1H)-one

C10H16N2O

HCID70872248

5-Bromo-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methylbenzoic acid

C15H20BrNO3

PRODUCTS

生成物

结构：CCN(c1cc(Br)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID70872491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-823427dcbec04508ac711aab1ad2196e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N:12]([CH:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[CH2:19][CH3:20])[c:5]([CH3:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[CH2:34]([N:35]([CH2:36][CH3:37])[CH2:38][CH3:39])[CH3:40].[CH3:74][S:75]([CH3:76])=[O:77].[NH2:21][CH2:22][c:23]1[c:24](=[O:33])[nH:25][c:26]([CH3:32])[cH:27][c:28]1[CH:29]([CH3:30])[CH3:31].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][P+:50]([N:51]2[CH2:52][CH2:53][CH2:54][CH2:55]2)([N:56]2[CH2:57][CH2:58][CH2:59][CH2:60]2)[N:61]2[CH2:62][CH2:63][CH2:64][CH2:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[Br:1][c:2]1[cH:3][c:4]([N:12]([CH:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[CH2:19][CH3:20])[c:5]([CH3:11])[c:6]([C:7](=[O:9])[NH:21][CH2:22][c:23]2[c:24](=[O:33])[nH:25][c:26]([CH3:32])[cH:27][c:28]2[CH:29]([CH3:30])[CH3:31])[cH:10]1