HRID1573779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID81531

Diisopropylethylamine

C8H19N

HCID50994814

1-(5-Fluoropyrimidin-2-yl)ethan-1-amine

C6H8FN3

结构：COc1cc(Nc2nc(Cl)nc(N(C)S(C)(=O)=O)c2Cl)n[nH]1

HCID178493076

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2nc(NC(C)c3ncc(F)cn3)nc(N(C)S(C)(=O)=O)c2Cl)n[nH]1

HCID178493091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f206d85038da424ebabc83c47a2d9c7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[n:3][c:4]([NH:15][c:16]2[n:17][nH:18][c:19]([O:21][CH3:22])[cH:20]2)[c:5]([Cl:14])[c:6]([N:8]([S:9](=[O:10])(=[O:11])[CH3:12])[CH3:13])[n:7]1.[ClH:23].[F:24][c:25]1[cH:26][n:27][c:28]([CH:31]([CH3:32])[NH2:33])[n:29][cH:30]1>>[c:2]1([NH:33][CH:31]([c:28]2[n:27][cH:26][c:25]([F:24])[cH:30][n:29]2)[CH3:32])[n:3][c:4]([NH:15][c:16]2[n:17][nH:18][c:19]([O:21][CH3:22])[cH:20]2)[c:5]([Cl:14])[c:6]([N:8]([S:9](=[O:10])(=[O:11])[CH3:12])[CH3:13])[n:7]1