HRID85831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1cc(Nc2nc(NC(CO)c3ccc(F)cc3)c(CN)cc2F)n[nH]1

HCID178458639

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(Nc2nc(NC(CO)c3ccc(F)cc3)c(CNS(C)(=O)=O)cc2F)n[nH]1

HCID178458641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dfd5a3f5b594c1bbf18336aca66577e
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

[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:31][S:32]([OH:33])(=[O:34])=[O:35].[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[NH2:1][CH2:2][c:3]1[c:4]([NH:20][CH:21]([CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[n:5][c:6]([NH:10][c:11]2[n:12][nH:13][c:14]([O:16][CH:17]([CH3:18])[CH3:19])[cH:15]2)[c:7]([F:9])[cH:8]1>>[NH:1]([CH2:2][c:3]1[c:4]([NH:20][CH:21]([CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[n:5][c:6]([NH:10][c:11]2[n:12][nH:13][c:14]([O:16][CH:17]([CH3:18])[CH3:19])[cH:15]2)[c:7]([F:9])[cH:8]1)[S:32]([CH3:31])(=[O:33])=[O:34]